16-Oximinoestrone-3-allyl ether
TL;DR: 16-Oximinoestrone-3-allyl ether (CAS 60834-45-9) is a chemical compound with molecular formula C21H25NO3 and molecular weight 339.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(16E)-16-hydroxyimino-13-methyl-3-prop-2-enoxy-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one
Also Known As: 16-Oximinoestrone-3-allyl ether, (16E)-16-hydroxyimino-13-methyl-3-prop-2-enoxy-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one
| Molecular Formula | C21H25NO3 |
|---|---|
| Molecular Weight | 339.18 g/mol |
| LogP | 4.1167 |
| Topological Polar Surface Area | 58.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.18344 |
| Heavy Atoms | 25 |
| Complexity | 753.5081 |
Chemical Identifiers
| CAS Number | 60834-45-9 |
|---|---|
| SMILES | CC12CCC3C(C1C/C(=N\O)/C2=O)CCC4=C3C=CC(=C4)OCC=C |
Product Overview
16-Oximinoestrone-3-allyl ether (CAS 60834-45-9), with molecular formula C21H25NO3 and molecular weight 339.18 g/mol. IUPAC: (16E)-16-hydroxyimino-13-methyl-3-prop-2-enoxy-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one.
Chemical Property Profile of 16-Oximinoestrone-3-allyl ether
Property Insights of 16-Oximinoestrone-3-allyl ether
The XLogP value of 4.1167 indicates that 16-Oximinoestrone-3-allyl ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.89 Ų, 16-Oximinoestrone-3-allyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 16-Oximinoestrone-3-allyl ether has 1 hydrogen bond donor(s) and 4 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 16-Oximinoestrone-3-allyl ether?
The CAS number of 16-Oximinoestrone-3-allyl ether is 60834-45-9.
What is the molecular formula of 16-Oximinoestrone-3-allyl ether?
The molecular formula of 16-Oximinoestrone-3-allyl ether is C21H25NO3.
What is the molecular weight of 16-Oximinoestrone-3-allyl ether?
The molecular weight of 16-Oximinoestrone-3-allyl ether is 339.18 g/mol.
Where can I buy 16-Oximinoestrone-3-allyl ether?
You can request a quote for 16-Oximinoestrone-3-allyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16-Oximinoestrone-3-allyl ether?
Yes, KEHONG BIO provides custom synthesis services for 16-Oximinoestrone-3-allyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.