Estrone 16-oxime
TL;DR: Estrone 16-oxime (CAS 6038-23-9) is a chemical compound with molecular formula C18H21NO3 and molecular weight 299.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-16-hydroxyimino-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one
Also Known As: Estrone 16-oxime, NCIOpen2_003510, 3-hydroxy-16-hydroxyimino-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one
| Molecular Formula | C18H21NO3 |
|---|---|
| Molecular Weight | 299.15 g/mol |
| LogP | 3.2575 |
| Topological Polar Surface Area | 69.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 299.15213 |
| Heavy Atoms | 22 |
| Complexity | 680.9099 |
Chemical Identifiers
| CAS Number | 6038-23-9 |
|---|---|
| SMILES | CC12CCC3C(C1CC(=NO)C2=O)CCC4=C3C=CC(=C4)O |
Product Overview
Estrone 16-oxime (CAS 6038-23-9), with molecular formula C18H21NO3 and molecular weight 299.15 g/mol. IUPAC: 3-hydroxy-16-hydroxyimino-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one.
Chemical Property Profile of Estrone 16-oxime
Property Insights of Estrone 16-oxime
The XLogP value of 3.2575 indicates that Estrone 16-oxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.89 Ų falls within the moderate polarity range, balancing permeability and solubility for Estrone 16-oxime. Following Lipinski's Rule of Five, Estrone 16-oxime has 2 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 Estrone 16-oxime?
The CAS number of Estrone 16-oxime is 6038-23-9.
What is the molecular formula of Estrone 16-oxime?
The molecular formula of Estrone 16-oxime is C18H21NO3.
What is the molecular weight of Estrone 16-oxime?
The molecular weight of Estrone 16-oxime is 299.15 g/mol.
Where can I buy Estrone 16-oxime?
You can request a quote for Estrone 16-oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Estrone 16-oxime?
Yes, KEHONG BIO provides custom synthesis services for Estrone 16-oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.