(20E)-20-(Hydroxyimino)-16,17-epoxypregn-5-en-3-yl acetate
TL;DR: (20E)-20-(Hydroxyimino)-16,17-epoxypregn-5-en-3-yl acetate (CAS 65137-63-5) is a chemical compound with molecular formula C23H33NO4 and molecular weight 387.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl] acetate
Also Known As: (20E)-20-(Hydroxyimino)-16,17-epoxypregn-5-en-3-yl acetate, [6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl] acetate
| Molecular Formula | C23H33NO4 |
|---|---|
| Molecular Weight | 387.24 g/mol |
| LogP | 4.4785 |
| Topological Polar Surface Area | 71.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 387.24097 |
| Heavy Atoms | 28 |
| Complexity | 774.564 |
Chemical Identifiers
| CAS Number | 65137-63-5 |
|---|---|
| SMILES | C/C(=N\O)/C12C(O1)CC3C2(CCC4C3CC=C5C4(CCC(C5)OC(=O)C)C)C |
Product Overview
(20E)-20-(Hydroxyimino)-16,17-epoxypregn-5-en-3-yl acetate (CAS 65137-63-5), with molecular formula C23H33NO4 and molecular weight 387.24 g/mol. IUPAC: [6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl] acetate.
Chemical Property Profile of (20E)-20-(Hydroxyimino)-16,17-epoxypregn-5-en-3-yl acetate
Property Insights of (20E)-20-(Hydroxyimino)-16,17-epoxypregn-5-en-3-yl acetate
The XLogP value of 4.4785 indicates that (20E)-20-(Hydroxyimino)-16,17-epoxypregn-5-en-3-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.42 Ų falls within the moderate polarity range, balancing permeability and solubility for (20E)-20-(Hydroxyimino)-16,17-epoxypregn-5-en-3-yl acetate. Following Lipinski's Rule of Five, (20E)-20-(Hydroxyimino)-16,17-epoxypregn-5-en-3-yl acetate has 1 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 (20E)-20-(Hydroxyimino)-16,17-epoxypregn-5-en-3-yl acetate?
The CAS number of (20E)-20-(Hydroxyimino)-16,17-epoxypregn-5-en-3-yl acetate is 65137-63-5.
What is the molecular formula of (20E)-20-(Hydroxyimino)-16,17-epoxypregn-5-en-3-yl acetate?
The molecular formula of (20E)-20-(Hydroxyimino)-16,17-epoxypregn-5-en-3-yl acetate is C23H33NO4.
What is the molecular weight of (20E)-20-(Hydroxyimino)-16,17-epoxypregn-5-en-3-yl acetate?
The molecular weight of (20E)-20-(Hydroxyimino)-16,17-epoxypregn-5-en-3-yl acetate is 387.24 g/mol.
Where can I buy (20E)-20-(Hydroxyimino)-16,17-epoxypregn-5-en-3-yl acetate?
You can request a quote for (20E)-20-(Hydroxyimino)-16,17-epoxypregn-5-en-3-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (20E)-20-(Hydroxyimino)-16,17-epoxypregn-5-en-3-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for (20E)-20-(Hydroxyimino)-16,17-epoxypregn-5-en-3-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.