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Heterocyclic building blocks

Sureptil

Also known as 6-amino-2-methylheptan-2-ol, 1-benzhydryl-4-[(E)-3-phenylprop-2-enyl]piperazine, 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid

CAS 79121-49-6Formula C43H57N7O5Molar mass 751.97 g/mol
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Sureptil chemical structure, C43H57N7O5, CAS 79121-49-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
79121-49-6
Formula
C43H57N7O5
Molar mass
751.97 g/mol
HS code
293359
Category
Heterocyclic building blocks

What is Sureptil?

Plain description, key identifiers and synonyms

Sureptil is a chemical substance with the molecular formula C43H57N7O5 and a molar mass of 751.97 g/mol. Its CAS registry number is 79121-49-6. The IUPAC name is 6-amino-2-methylheptan-2-ol, 1-benzhydryl-4-[(E)-3-phenylprop-2-enyl]piperazine, 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
6-amino-2-methylheptan-2-ol, 1-benzhydryl-4-[(E)-3-phenylprop-2-enyl]piperazine, 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid
CAS number
79121-49-6
Molecular formula
C43H57N7O5
InChIKey
QPIMTWYTCFFGKW-JFXLULTRSA-N
InChI
InChI=1S/C26H28N2.C9H10N4O4.C8H19NO/c1-4-11-23(12-5-1)13-10-18-27-19-21-28(22-20-27)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25;1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15;1-7(9)5-4-6-8(2,3)10/h1-17,26H,18-22H2;4H,3H2,1-2H3,(H,14,15);7,10H,4-6,9H2,1-3H3/b13-10+;;
Canonical SMILES
C(=Cc1ccccc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1.CC(N)CCCC(C)(C)O.Cn1c(=O)c2c(ncn2CC(=O)O)n(C)c1=O
Isomeric SMILES
CC(CCCC(C)(C)O)N.CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)O.C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4

Synonyms

  • 6-amino-2-methylheptan-2-ol, 1-benzhydryl-4-[(E)-3-phenylprop-2-enyl]piperazine, 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid

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
751.97 g/molcalc.
Exact mass
751.4421 Dacalc.
LogP (octanol/water)
4.9calc.
Topological polar surface area
151.9 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
12calc.
Heavy atoms
55calc.
Rings
6calc.
Aromatic rings
5calc.
Fraction sp3 carbons
0.4calc.
Formal charge
0calc.
Stereocentres
1calc.
Components
3calc.
Lipinski rule of five
Passes (1 violation)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, C(=Cc1ccccc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1

C(=Cc1ccccc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1

4 rings, 28 atoms.

35 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.

Sureptil suppliers

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

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Sureptil price

Indicative price range per kg from live supplier offers

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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 Sureptil is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

Quick answers about Sureptil, based on the data on this page

What is Sureptil?

Sureptil is a chemical substance with the molecular formula C43H57N7O5 and a molar mass of 751.97 g/mol. Its CAS registry number is 79121-49-6. The IUPAC name is 6-amino-2-methylheptan-2-ol, 1-benzhydryl-4-[(E)-3-phenylprop-2-enyl]piperazine, 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid.

What is the CAS number of Sureptil?

The CAS registry number of Sureptil is 79121-49-6.

What is the molecular formula and weight of Sureptil?

The molecular formula of Sureptil is C43H57N7O5 and its molar mass is 751.97 g/mol.

What is Sureptil used for?

Known uses and roles of Sureptil include building blocks in research and laboratory.

Is Sureptil hazardous?

No GHS hazard classification for Sureptil 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 Sureptil?

Sureptil is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Sureptil?

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

What is the price of Sureptil?

Suppliers quote Sureptil 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 Sureptil

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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