17alpha-Vinylestradiol 3-methyl ether
TL;DR: 17alpha-Vinylestradiol 3-methyl ether (CAS 8030-65-7) is a chemical compound with molecular formula C21H28O2 and molecular weight 312.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,13S,14S,17R)-17-ethenyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
Also Known As: 17-Vinylestradiol 3-methyl ether, 17alpha-Vinylestradiol 3-methyl ether, 3-Methoxy-19-nor-17alpha-pregna-1,3,5(10),20-tetraen-17-ol, 17.ALPHA.-VINYLESTRADIOL 3-METHYL ETHER, 19-Nor-17alpha-pregna-1,3,5(10),20-tetraen-17-ol, 3-methoxy-
| Molecular Formula | C21H28O2 |
|---|---|
| Molecular Weight | 312.21 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.20892 |
| Heavy Atoms | 23 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 8030-65-7 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C=C)O)CCC4=C3C=CC(=C4)OC |
| InChIKey | BFJGDRRSEQORFA-MJCUULBUSA-N |
Product Overview
17alpha-Vinylestradiol 3-methyl ether (CAS 8030-65-7), with molecular formula C21H28O2 and molecular weight 312.21 g/mol. IUPAC: (8R,9S,13S,14S,17R)-17-ethenyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol.
Chemical Property Profile of 17alpha-Vinylestradiol 3-methyl ether
Property Insights of 17alpha-Vinylestradiol 3-methyl ether
The XLogP value of 4.5 indicates that 17alpha-Vinylestradiol 3-methyl ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 17alpha-Vinylestradiol 3-methyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17alpha-Vinylestradiol 3-methyl ether 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
Frequently Asked Questions
What is the CAS number of 17alpha-Vinylestradiol 3-methyl ether?
The CAS number of 17alpha-Vinylestradiol 3-methyl ether is 8030-65-7.
What is the molecular formula of 17alpha-Vinylestradiol 3-methyl ether?
The molecular formula of 17alpha-Vinylestradiol 3-methyl ether is C21H28O2.
What is the molecular weight of 17alpha-Vinylestradiol 3-methyl ether?
The molecular weight of 17alpha-Vinylestradiol 3-methyl ether is 312.21 g/mol.
Where can I buy 17alpha-Vinylestradiol 3-methyl ether?
You can request a quote for 17alpha-Vinylestradiol 3-methyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17alpha-Vinylestradiol 3-methyl ether?
Yes, KEHONG BIO provides custom synthesis services for 17alpha-Vinylestradiol 3-methyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.