17-Cyano-16,17-epoxy-1,3,5(10)estratrien-3-ol
TL;DR: 17-Cyano-16,17-epoxy-1,3,5(10)estratrien-3-ol (CAS 100702-71-4) is a chemical compound with molecular formula C19H21NO2 and molecular weight 295.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S,7S,10S)-14-hydroxy-7-methyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadeca-11(16),12,14-triene-6-carbonitrile
Also Known As: Cyano-eeto, 17-Cyano-16,17-epoxy-1,3,5(10)estratrien-3-ol, 17, A-cyano-16, A,17
| Molecular Formula | C19H21NO2 |
|---|---|
| Molecular Weight | 295.16 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 56.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 295.15723 |
| Heavy Atoms | 22 |
| Complexity | 553.0 |
Chemical Identifiers
| CAS Number | 100702-71-4 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC4C2(O4)C#N)CCC5=C3C=CC(=C5)O |
| InChIKey | OJFZHBKHYAWBOC-SKPQLKPYSA-N |
Product Overview
17-Cyano-16,17-epoxy-1,3,5(10)estratrien-3-ol (CAS 100702-71-4), with molecular formula C19H21NO2 and molecular weight 295.16 g/mol. IUPAC: (1R,2S,7S,10S)-14-hydroxy-7-methyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadeca-11(16),12,14-triene-6-carbonitrile.
Chemical Property Profile of 17-Cyano-16,17-epoxy-1,3,5(10)estratrien-3-ol
Property Insights of 17-Cyano-16,17-epoxy-1,3,5(10)estratrien-3-ol
The XLogP value of 3.5 indicates that 17-Cyano-16,17-epoxy-1,3,5(10)estratrien-3-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.6 Ų, 17-Cyano-16,17-epoxy-1,3,5(10)estratrien-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17-Cyano-16,17-epoxy-1,3,5(10)estratrien-3-ol has 1 hydrogen bond donor(s) and 3 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 17-Cyano-16,17-epoxy-1,3,5(10)estratrien-3-ol?
The CAS number of 17-Cyano-16,17-epoxy-1,3,5(10)estratrien-3-ol is 100702-71-4.
What is the molecular formula of 17-Cyano-16,17-epoxy-1,3,5(10)estratrien-3-ol?
The molecular formula of 17-Cyano-16,17-epoxy-1,3,5(10)estratrien-3-ol is C19H21NO2.
What is the molecular weight of 17-Cyano-16,17-epoxy-1,3,5(10)estratrien-3-ol?
The molecular weight of 17-Cyano-16,17-epoxy-1,3,5(10)estratrien-3-ol is 295.16 g/mol.
Where can I buy 17-Cyano-16,17-epoxy-1,3,5(10)estratrien-3-ol?
You can request a quote for 17-Cyano-16,17-epoxy-1,3,5(10)estratrien-3-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-Cyano-16,17-epoxy-1,3,5(10)estratrien-3-ol?
Yes, KEHONG BIO provides custom synthesis services for 17-Cyano-16,17-epoxy-1,3,5(10)estratrien-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.