CompoundList
Sign in
Screening compounds

PC 12 ester

Also known as PC-12 ester, N-(2-Benzyl-3-((2-amino-4-methylpentyl)dithio)-1-oxopropyl)glycine benzyl ester, N-(2-(((2-Amino-4-methylpentyl)dithio)methyl)-1-oxo-3-phenylpropyl)glycine phenylmethyl ester

CAS 135949-54-1Formula C25H34N2O3S2Molar mass 474.69 g/mol
Get quotes Safety data
PC 12 ester chemical structure, C25H34N2O3S2, CAS 135949-54-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
135949-54-1
Formula
C25H34N2O3S2
Molar mass
474.69 g/mol
HS code
293090
Category
Screening compounds

What is PC 12 ester?

Plain description, key identifiers and synonyms

PC 12 ester is a chemical substance with the molecular formula C25H34N2O3S2 and a molar mass of 474.69 g/mol. Its CAS registry number is 135949-54-1. The IUPAC name is benzyl 2-[[2-[[(2-amino-4-methylpentyl)disulfanyl]methyl]-3-phenylpropanoyl]amino]acetate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
benzyl 2-[[2-[[(2-amino-4-methylpentyl)disulfanyl]methyl]-3-phenylpropanoyl]amino]acetate
CAS number
135949-54-1 CAS number cross-checked
Molecular formula
C25H34N2O3S2
InChIKey
AOAAKTIWWOEKKS-UHFFFAOYSA-N
InChI
InChI=1S/C25H34N2O3S2/c1-19(2)13-23(26)18-32-31-17-22(14-20-9-5-3-6-10-20)25(29)27-15-24(28)30-16-21-11-7-4-8-12-21/h3-12,19,22-23H,13-18,26H2,1-2H3,(H,27,29)
SMILES (canonical and isomeric)
CC(C)CC(CSSCC(CC1=CC=CC=C1)C(=O)NCC(=O)OCC2=CC=CC=C2)N

Synonyms

  • PC-12 ester
  • N-(2-Benzyl-3-((2-amino-4-methylpentyl)dithio)-1-oxopropyl)glycine benzyl ester
  • N-(2-(((2-Amino-4-methylpentyl)dithio)methyl)-1-oxo-3-phenylpropyl)glycine phenylmethyl ester
  • 2-{[(2-Amino-4-methylpentyl)disulfanyl]methyl}-N-[2-(benzyloxy)-2-oxoethyl]-3-phenylpropanimidato
  • 2-{[(2-Amino-4-methylpentyl)disulfanyl]methyl}-N-[2-(benzyloxy)-2-oxoethyl]-3-phenylpropanimidic acid
  • Glycine, N-(2-(((2-amino-4-methylpentyl)dithio)methyl)-1-oxo-3-phenylpropyl)-, phenylmethyl ester

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
474.69 g/molcalc.
Exact mass
474.2011 Dacalc.
LogP (octanol/water)
4.46calc.
Topological polar surface area
81.42 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
14calc.
Heavy atoms
32calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.44calc.
Formal charge
0calc.
Stereocentres
2calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C(CCc1ccccc1)NCC(=O)OCc1ccccc1

O=C(CCc1ccccc1)NCC(=O)OCc1ccccc1

2 rings, 22 atoms.

12 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

PC 12 ester suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

No supplier listings yet

Post one free request and suppliers who make or trade PC 12 ester can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

PC 12 ester price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code PC 12 ester is traded under.

HS 2930.90Indicative HS code

Organo-sulphur compounds, other

World exports in 2024
$5.83B
+0.1% vs 2023, imports $5.93B
2019 to 2024
Top exporters
  1. China40.7%
  2. United States10.9%
  3. Japan9.3%
Top importers
  1. United States13.3%
  2. Brazil12.6%
  3. China6.6%
Reported customs values in USD, not prices.Full trade data

The HS code shown for PC 12 ester is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about PC 12 ester, based on the data on this page

What is PC 12 ester?

PC 12 ester is a chemical substance with the molecular formula C25H34N2O3S2 and a molar mass of 474.69 g/mol. Its CAS registry number is 135949-54-1. The IUPAC name is benzyl 2-[[2-[[(2-amino-4-methylpentyl)disulfanyl]methyl]-3-phenylpropanoyl]amino]acetate.

What is the CAS number of PC 12 ester?

The CAS registry number of PC 12 ester is 135949-54-1.

What is the molecular formula and weight of PC 12 ester?

The molecular formula of PC 12 ester is C25H34N2O3S2 and its molar mass is 474.69 g/mol.

What is PC 12 ester used for?

Known uses and roles of PC 12 ester include building blocks in research and laboratory and screening compounds in research and laboratory.

Is PC 12 ester hazardous?

No GHS hazard classification for PC 12 ester is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of PC 12 ester?

PC 12 ester is usually classified under HS code 293090 (Organo-sulphur compounds, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy PC 12 ester?

Post a free request on CompoundList and suppliers of PC 12 ester will send you quotes. Your contact details stay private until you accept a quote.

What is the price of PC 12 ester?

Suppliers quote PC 12 ester on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle PC 12 ester

Get quotes for PC 12 ester

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell PC 12 ester
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of PC 12 ester with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/pc-12-ester-135949-54-1" title="PC 12 ester structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Screening compounds or HS code 293090

Price on request
Free quotes, contact stays private
Get quotes