Methyl-1alpha, 7alpha-dihydroxy-3-oxopregn-4-en-21-oate
TL;DR: Methyl-1alpha, 7alpha-dihydroxy-3-oxopregn-4-en-21-oate (CAS 65058-23-3) is a chemical compound with molecular formula C22H32O5 and molecular weight 376.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(1S,7R,8S,9S,10R,13R,14S,17R)-1,7-dihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]acetate
Also Known As: Derivatire V, Derivative V, Methyl 1alpha,7alpha-dihydroxy-3-oxopregn-4-en-21-oate, Methyl 1,7-dihydroxy-3-oxopregn-4-en-21-oate, methyl 1
| Molecular Formula | C22H32O5 |
|---|---|
| Molecular Weight | 376.22 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 376.22498 |
| Heavy Atoms | 27 |
| Complexity | 684.0 |
Chemical Identifiers
| CAS Number | 65058-23-3 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2CC(=O)OC)[C@@H](CC4=CC(=O)C[C@@H]([C@]34C)O)O |
| InChIKey | KFOPKOFKGJJEBW-ZSSYTAEJSA-N |
Product Overview
Methyl-1alpha, 7alpha-dihydroxy-3-oxopregn-4-en-21-oate (CAS 65058-23-3), with molecular formula C22H32O5 and molecular weight 376.22 g/mol. IUPAC: methyl 2-[(1S,7R,8S,9S,10R,13R,14S,17R)-1,7-dihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]acetate.
Chemical Property Profile of Methyl-1alpha, 7alpha-dihydroxy-3-oxopregn-4-en-21-oate
Property Insights of Methyl-1alpha, 7alpha-dihydroxy-3-oxopregn-4-en-21-oate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl-1alpha, 7alpha-dihydroxy-3-oxopregn-4-en-21-oate. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl-1alpha, 7alpha-dihydroxy-3-oxopregn-4-en-21-oate. Following Lipinski's Rule of Five, Methyl-1alpha, 7alpha-dihydroxy-3-oxopregn-4-en-21-oate has 2 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 Methyl-1alpha, 7alpha-dihydroxy-3-oxopregn-4-en-21-oate?
The CAS number of Methyl-1alpha, 7alpha-dihydroxy-3-oxopregn-4-en-21-oate is 65058-23-3.
What is the molecular formula of Methyl-1alpha, 7alpha-dihydroxy-3-oxopregn-4-en-21-oate?
The molecular formula of Methyl-1alpha, 7alpha-dihydroxy-3-oxopregn-4-en-21-oate is C22H32O5.
What is the molecular weight of Methyl-1alpha, 7alpha-dihydroxy-3-oxopregn-4-en-21-oate?
The molecular weight of Methyl-1alpha, 7alpha-dihydroxy-3-oxopregn-4-en-21-oate is 376.22 g/mol.
Where can I buy Methyl-1alpha, 7alpha-dihydroxy-3-oxopregn-4-en-21-oate?
You can request a quote for Methyl-1alpha, 7alpha-dihydroxy-3-oxopregn-4-en-21-oate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl-1alpha, 7alpha-dihydroxy-3-oxopregn-4-en-21-oate?
Yes, KEHONG BIO provides custom synthesis services for Methyl-1alpha, 7alpha-dihydroxy-3-oxopregn-4-en-21-oate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.