3-beta-Methoxycarbonyloxy-17-alpha-methoxycarbamoyl-5-alpha-androstane
TL;DR: 3-beta-Methoxycarbonyloxy-17-alpha-methoxycarbamoyl-5-alpha-androstane (CAS 126054-47-5) is a chemical compound with molecular formula C23H37NO5 and molecular weight 407.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,5S,10S,13S,17R)-17-(methoxycarbonylamino)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] methyl carbonate
Also Known As: 3-beta-Methoxycarbonyloxy-17-alpha-methoxycarbamoyl-5-alpha-androstane, Carbonic acid, (3-beta,5-alpha,17-alpha)-17-((methoxycarbonyl)amino)androstan-3-yl-, methyl ester, 3EC-methoxycarbonyloxy-17I<<-methoxycarbamoyl-5I<<-androstane, 17-{[Hydroxy(methoxy)methylidene]amino}androstan-3-yl methyl carbonate, (8xi,9xi)-17alpha-{[Hydroxy(methoxy)methylidene]amino}-5alpha,14xi-androstan-3beta-yl methyl carbonate
| Molecular Formula | C23H37NO5 |
|---|---|
| Molecular Weight | 407.27 g/mol |
| LogP | 4.9053 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 407.26718 |
| Heavy Atoms | 29 |
| Complexity | 653.17944 |
Chemical Identifiers
| CAS Number | 126054-47-5 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C[C@@H]1CCC3C2CC[C@]4(C3CC[C@H]4NC(=O)OC)C)OC(=O)OC |
Product Overview
3-beta-Methoxycarbonyloxy-17-alpha-methoxycarbamoyl-5-alpha-androstane (CAS 126054-47-5), with molecular formula C23H37NO5 and molecular weight 407.27 g/mol. IUPAC: [(3S,5S,10S,13S,17R)-17-(methoxycarbonylamino)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] methyl carbonate.
Chemical Property Profile of 3-beta-Methoxycarbonyloxy-17-alpha-methoxycarbamoyl-5-alpha-androstane
Property Insights of 3-beta-Methoxycarbonyloxy-17-alpha-methoxycarbamoyl-5-alpha-androstane
The XLogP value of 4.9053 indicates that 3-beta-Methoxycarbonyloxy-17-alpha-methoxycarbamoyl-5-alpha-androstane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-beta-Methoxycarbonyloxy-17-alpha-methoxycarbamoyl-5-alpha-androstane. Following Lipinski's Rule of Five, 3-beta-Methoxycarbonyloxy-17-alpha-methoxycarbamoyl-5-alpha-androstane 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 3-beta-Methoxycarbonyloxy-17-alpha-methoxycarbamoyl-5-alpha-androstane?
The CAS number of 3-beta-Methoxycarbonyloxy-17-alpha-methoxycarbamoyl-5-alpha-androstane is 126054-47-5.
What is the molecular formula of 3-beta-Methoxycarbonyloxy-17-alpha-methoxycarbamoyl-5-alpha-androstane?
The molecular formula of 3-beta-Methoxycarbonyloxy-17-alpha-methoxycarbamoyl-5-alpha-androstane is C23H37NO5.
What is the molecular weight of 3-beta-Methoxycarbonyloxy-17-alpha-methoxycarbamoyl-5-alpha-androstane?
The molecular weight of 3-beta-Methoxycarbonyloxy-17-alpha-methoxycarbamoyl-5-alpha-androstane is 407.27 g/mol.
Where can I buy 3-beta-Methoxycarbonyloxy-17-alpha-methoxycarbamoyl-5-alpha-androstane?
You can request a quote for 3-beta-Methoxycarbonyloxy-17-alpha-methoxycarbamoyl-5-alpha-androstane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-beta-Methoxycarbonyloxy-17-alpha-methoxycarbamoyl-5-alpha-androstane?
Yes, KEHONG BIO provides custom synthesis services for 3-beta-Methoxycarbonyloxy-17-alpha-methoxycarbamoyl-5-alpha-androstane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.