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Heterocyclic building blocks

Pholcolix

CAS 90326-84-4Formula C40H52N4O7Molar mass 700.88 g/mol
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Pholcolix chemical structure, C40H52N4O7, CAS 90326-84-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
90326-84-4
Formula
C40H52N4O7
Molar mass
700.88 g/mol
HS code
293499
Category
Heterocyclic building blocks

What is Pholcolix?

Plain description, key identifiers and synonyms

Pholcolix is a chemical substance with the molecular formula C40H52N4O7 and a molar mass of 700.88 g/mol. Its CAS registry number is 90326-84-4. The IUPAC name is (4R,4aR,7S,7aR,12bS)-3-methyl-9-(2-morpholin-4-ylethoxy)-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol, (1S,2R)-2-amino-1-phenylpropan-1-ol, N-(4-hydroxyphenyl)acetamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4R,4aR,7S,7aR,12bS)-3-methyl-9-(2-morpholin-4-ylethoxy)-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol, (1S,2R)-2-amino-1-phenylpropan-1-ol, N-(4-hydroxyphenyl)acetamide
CAS number
90326-84-4 CAS number cross-checked
Molecular formula
C40H52N4O7
InChIKey
IXAQYJGUAHBCDT-ZYMSHKBDSA-N
InChI
InChI=1S/C23H30N2O4.C9H13NO.C8H9NO2/c1-24-7-6-23-16-3-4-18(26)22(23)29-21-19(5-2-15(20(21)23)14-17(16)24)28-13-10-25-8-11-27-12-9-25;1-7(10)9(11)8-5-3-2-4-6-8;1-6(10)9-7-2-4-8(11)5-3-7/h2-5,16-18,22,26H,6-14H2,1H3;2-7,9,11H,10H2,1H3;2-5,11H,1H3,(H,9,10)/t16-,17+,18-,22-,23-;7-,9-;/m01./s1
Canonical SMILES
CC(=O)Nc1ccc(O)cc1.CC(N)C(O)c1ccccc1.CN1CCC23c4c5ccc(OCCN6CCOCC6)c4OC2C(O)C=CC3C1C5
Isomeric SMILES
C[C@H]([C@H](C1=CC=CC=C1)O)N.CC(=O)NC1=CC=C(C=C1)O.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OCCN6CCOCC6)O[C@H]3[C@H](C=C4)O

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
700.88 g/molcalc.
Exact mass
700.3836 Dacalc.
LogP (octanol/water)
3.62calc.
Topological polar surface area
150 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
7calc.
Heavy atoms
51calc.
Rings
8calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.48calc.
Formal charge
0calc.
Stereocentres
7calc.
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, C1=CC2C3Cc4ccc(OCCN5CCOCC5)c5c4C2(CCN3)C(C1)O5

C1=CC2C3Cc4ccc(OCCN5CCOCC5)c5c4C2(CCN3)C(C1)O5

6 rings, 27 atoms.

13 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.

Pholcolix suppliers

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Pholcolix 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 Pholcolix is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Pholcolix?

Pholcolix is a chemical substance with the molecular formula C40H52N4O7 and a molar mass of 700.88 g/mol. Its CAS registry number is 90326-84-4.

What is the CAS number of Pholcolix?

The CAS registry number of Pholcolix is 90326-84-4.

What is the molecular formula and weight of Pholcolix?

The molecular formula of Pholcolix is C40H52N4O7 and its molar mass is 700.88 g/mol.

What is Pholcolix used for?

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

Is Pholcolix hazardous?

No GHS hazard classification for Pholcolix 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 Pholcolix?

Pholcolix is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Pholcolix?

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

What is the price of Pholcolix?

Suppliers quote Pholcolix 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 Pholcolix

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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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