4-Hydroxyestrone-17-(O-carboxymethyl)oxime
TL;DR: 4-Hydroxyestrone-17-(O-carboxymethyl)oxime (CAS 77111-07-0) is a chemical compound with molecular formula C20H25NO5 and molecular weight 359.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(Z)-[(13S)-3,4-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene]amino]oxyacetic acid
Also Known As: HECMO, 4-Hydroxyestrone-17-(O-carboxymethyl)oxime, 2-[(Z)-[(13S)-3,4-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene]amino]oxyacetic acid, Acetic acid, (((3,4-dihydroxyestra-1,3,5(10)-trien-17-ylidene)amino)oxy)-, 2-[[(13S)-3,4-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene]amino]oxyacetic acid
| Molecular Formula | C20H25NO5 |
|---|---|
| Molecular Weight | 359.17 g/mol |
| LogP | 3.4111 |
| Topological Polar Surface Area | 99.35 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 359.17328 |
| Heavy Atoms | 26 |
| Complexity | 773.7102 |
Chemical Identifiers
| CAS Number | 77111-07-0 |
|---|---|
| SMILES | C[C@]1\2CCC3C(C1CC/C2=N/OCC(=O)O)CCC4=C3C=CC(=C4O)O |
Product Overview
4-Hydroxyestrone-17-(O-carboxymethyl)oxime (CAS 77111-07-0), with molecular formula C20H25NO5 and molecular weight 359.17 g/mol. IUPAC: 2-[(Z)-[(13S)-3,4-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene]amino]oxyacetic acid.
Chemical Property Profile of 4-Hydroxyestrone-17-(O-carboxymethyl)oxime
Property Insights of 4-Hydroxyestrone-17-(O-carboxymethyl)oxime
The XLogP value of 3.4111 indicates that 4-Hydroxyestrone-17-(O-carboxymethyl)oxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxyestrone-17-(O-carboxymethyl)oxime. Following Lipinski's Rule of Five, 4-Hydroxyestrone-17-(O-carboxymethyl)oxime has 3 hydrogen bond donor(s) and 5 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 4-Hydroxyestrone-17-(O-carboxymethyl)oxime?
The CAS number of 4-Hydroxyestrone-17-(O-carboxymethyl)oxime is 77111-07-0.
What is the molecular formula of 4-Hydroxyestrone-17-(O-carboxymethyl)oxime?
The molecular formula of 4-Hydroxyestrone-17-(O-carboxymethyl)oxime is C20H25NO5.
What is the molecular weight of 4-Hydroxyestrone-17-(O-carboxymethyl)oxime?
The molecular weight of 4-Hydroxyestrone-17-(O-carboxymethyl)oxime is 359.17 g/mol.
Where can I buy 4-Hydroxyestrone-17-(O-carboxymethyl)oxime?
You can request a quote for 4-Hydroxyestrone-17-(O-carboxymethyl)oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxyestrone-17-(O-carboxymethyl)oxime?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxyestrone-17-(O-carboxymethyl)oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.