16alpha-Hydroxypregnenolone 7-(O-carboxymethyl)oxime
TL;DR: 16alpha-Hydroxypregnenolone 7-(O-carboxymethyl)oxime (CAS 61192-54-9) is a chemical compound with molecular formula C23H33NO6 and molecular weight 419.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(Z)-[(3S,10R,13S,16R,17R)-17-acetyl-3,16-dihydroxy-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-ylidene]amino]oxyacetic acid
Also Known As: Cid 9578233, 16alpha-Hydroxypregnenolone 7-(O-carboxymethyl)oxime, 3beta,16alpha-Dihydroxy-5-pregnene-7,20-dione 7-(O-carboxymethyl)oxime, 2-[(Z)-[(3S,10R,13S,16R,17R)-17-Acetyl-3,16-dihydroxy-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-ylidene]amino]oxyacetic acid, Acetic acid, ((((3beta,16alpha)-3,16-dihydroxy-20-oxopregn-5-en-7-ylidene)amino)oxy)-
| Molecular Formula | C23H33NO6 |
|---|---|
| Molecular Weight | 419.23 g/mol |
| LogP | 2.5532 |
| Topological Polar Surface Area | 116.42 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 419.23077 |
| Heavy Atoms | 30 |
| Complexity | 805.515 |
Chemical Identifiers
| CAS Number | 61192-54-9 |
|---|---|
| SMILES | CC(=O)[C@H]1[C@@H](CC2[C@@]1(CCC3C2/C(=N/OCC(=O)O)/C=C4[C@@]3(CC[C@@H](C4)O)C)C)O |
Product Overview
16alpha-Hydroxypregnenolone 7-(O-carboxymethyl)oxime (CAS 61192-54-9), with molecular formula C23H33NO6 and molecular weight 419.23 g/mol. IUPAC: 2-[(Z)-[(3S,10R,13S,16R,17R)-17-acetyl-3,16-dihydroxy-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-ylidene]amino]oxyacetic acid.
Chemical Property Profile of 16alpha-Hydroxypregnenolone 7-(O-carboxymethyl)oxime
Property Insights of 16alpha-Hydroxypregnenolone 7-(O-carboxymethyl)oxime
The XLogP value of 2.5532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 16alpha-Hydroxypregnenolone 7-(O-carboxymethyl)oxime. The TPSA of 116.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 16alpha-Hydroxypregnenolone 7-(O-carboxymethyl)oxime. Following Lipinski's Rule of Five, 16alpha-Hydroxypregnenolone 7-(O-carboxymethyl)oxime has 3 hydrogen bond donor(s) and 6 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 16alpha-Hydroxypregnenolone 7-(O-carboxymethyl)oxime?
The CAS number of 16alpha-Hydroxypregnenolone 7-(O-carboxymethyl)oxime is 61192-54-9.
What is the molecular formula of 16alpha-Hydroxypregnenolone 7-(O-carboxymethyl)oxime?
The molecular formula of 16alpha-Hydroxypregnenolone 7-(O-carboxymethyl)oxime is C23H33NO6.
What is the molecular weight of 16alpha-Hydroxypregnenolone 7-(O-carboxymethyl)oxime?
The molecular weight of 16alpha-Hydroxypregnenolone 7-(O-carboxymethyl)oxime is 419.23 g/mol.
Where can I buy 16alpha-Hydroxypregnenolone 7-(O-carboxymethyl)oxime?
You can request a quote for 16alpha-Hydroxypregnenolone 7-(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 16alpha-Hydroxypregnenolone 7-(O-carboxymethyl)oxime?
Yes, KEHONG BIO provides custom synthesis services for 16alpha-Hydroxypregnenolone 7-(O-carboxymethyl)oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.