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equilin structure
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equilin

TL;DR: equilin (CAS 474-86-2) is a chemical compound with molecular formula C18H20O2 and molecular weight 268.14633 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

3-hydroxy-13-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-one

Also Known As: equilin, 7-Dehydroestrone, Dihydroequilenin, Equilin-d4, Sodium orthovanadate

CAS Number
474-86-2
Molecular Formula
C18H20O2
Molecular Weight
268.14633 g/mol
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Technical Specifications

Molecular FormulaC18H20O2
Molecular Weight268.14633 g/mol
XLogP2.9
Topological Polar Surface Area (TPSA)37.3 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors2
Rotatable Bonds0
Exact Mass268.14633 Da
Heavy Atoms20
Complexity466.0
SMILESCC12CCC3C(=CCC4=C3C=CC(=C4)O)C1CCC2=O
InChIKeyWKRLQDKEXYKHJB-UHFFFAOYSA-N

Product Description

Applications: equilin is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).

equilin (CAS 474-86-2) is a fine chemical with the molecular formula C18H20O2 and a molecular weight of 268.15 g/mol. Synonyms include equilin and 7-Dehydroestrone.

Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.

Chemical Property Profile of equilin

XLogP
2.9
TPSA (Topological Polar Surface Area)
37.3
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
Rotatable Bonds
0
Heavy Atoms
20
Complexity
466.0
Exact Mass
268.14633
Monoisotopic Mass
268.14633
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of equilin

The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for equilin. With a topological polar surface area (TPSA) of 37.3 Ų, equilin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, equilin has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of equilin?

The CAS number of equilin is 474-86-2.

What is the molecular formula of equilin?

The molecular formula of equilin is C18H20O2.

What is the molecular weight of equilin?

The molecular weight of equilin is 268.14633 g/mol.

What are the applications of equilin?

equilin is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).

Where can I buy equilin?

You can request a quote for equilin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for equilin?

Yes, CoreyChem provides custom synthesis services for equilin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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