3-Hydroxyestra-1,3,5(10),7-tetraene-16,17-dione 16-oxime
TL;DR: 3-Hydroxyestra-1,3,5(10),7-tetraene-16,17-dione 16-oxime (CAS 3853-36-9) is a chemical compound with molecular formula C18H19NO3 and molecular weight 297.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9S,13S,14S,16E)-3-hydroxy-16-hydroxyimino-13-methyl-6,9,11,12,14,15-hexahydrocyclopenta[a]phenanthren-17-one
Also Known As: 3-Hydroxyestra-1,3,5(10),7-tetraene-16,17-dione 16-oxime, (16E)-3-Hydroxy-16-(hydroxyimino)estra-1,3,5(10),7-tetraen-17-one, (9S,13S,14S,16E)-3-Hydroxy-16-hydroxyimino-13-methyl-6,9,11,12,14,15-hexahydrocyclopenta[a]phenanthren-17-one
| Molecular Formula | C18H19NO3 |
|---|---|
| Molecular Weight | 297.14 g/mol |
| LogP | 3.1776 |
| Topological Polar Surface Area | 69.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 297.1365 |
| Heavy Atoms | 22 |
| Complexity | 733.84784 |
Chemical Identifiers
| CAS Number | 3853-36-9 |
|---|---|
| SMILES | C[C@]12CC[C@H]3C(=CCC4=C3C=CC(=C4)O)[C@@H]1C/C(=N\O)/C2=O |
Product Overview
3-Hydroxyestra-1,3,5(10),7-tetraene-16,17-dione 16-oxime (CAS 3853-36-9), with molecular formula C18H19NO3 and molecular weight 297.14 g/mol. IUPAC: (9S,13S,14S,16E)-3-hydroxy-16-hydroxyimino-13-methyl-6,9,11,12,14,15-hexahydrocyclopenta[a]phenanthren-17-one.
Chemical Property Profile of 3-Hydroxyestra-1,3,5(10),7-tetraene-16,17-dione 16-oxime
Property Insights of 3-Hydroxyestra-1,3,5(10),7-tetraene-16,17-dione 16-oxime
The XLogP value of 3.1776 indicates that 3-Hydroxyestra-1,3,5(10),7-tetraene-16,17-dione 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 3-Hydroxyestra-1,3,5(10),7-tetraene-16,17-dione 16-oxime. Following Lipinski's Rule of Five, 3-Hydroxyestra-1,3,5(10),7-tetraene-16,17-dione 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 3-Hydroxyestra-1,3,5(10),7-tetraene-16,17-dione 16-oxime?
The CAS number of 3-Hydroxyestra-1,3,5(10),7-tetraene-16,17-dione 16-oxime is 3853-36-9.
What is the molecular formula of 3-Hydroxyestra-1,3,5(10),7-tetraene-16,17-dione 16-oxime?
The molecular formula of 3-Hydroxyestra-1,3,5(10),7-tetraene-16,17-dione 16-oxime is C18H19NO3.
What is the molecular weight of 3-Hydroxyestra-1,3,5(10),7-tetraene-16,17-dione 16-oxime?
The molecular weight of 3-Hydroxyestra-1,3,5(10),7-tetraene-16,17-dione 16-oxime is 297.14 g/mol.
Where can I buy 3-Hydroxyestra-1,3,5(10),7-tetraene-16,17-dione 16-oxime?
You can request a quote for 3-Hydroxyestra-1,3,5(10),7-tetraene-16,17-dione 16-oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxyestra-1,3,5(10),7-tetraene-16,17-dione 16-oxime?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxyestra-1,3,5(10),7-tetraene-16,17-dione 16-oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.