Methyl hydrogen (3-hydroxyandrostan-17-yl)carbonimidate
TL;DR: Methyl hydrogen (3-hydroxyandrostan-17-yl)carbonimidate (CAS 126054-45-3) is a chemical compound with molecular formula C21H35NO3 and molecular weight 349.2617 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl N-[(3S,5S,10S,13S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]carbamate
Also Known As: Methyl hydrogen (3-hydroxyandrostan-17-yl)carbonimidate, 3-beta-Hydroxy-17-beta-methoxycarbamoyl-5-alpha-androstane, Carbamic acid, ((3-beta,5-alpha,17-beta)-3-hydroxyandrostan-17-yl)-, methyl ester, Methyl hydrogen [(8xi,9xi,14xi)-3beta-hydroxy-5alpha-androstan-17beta-yl]carbonimidate, methyl N-[(3S,5S,10S,13S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]carbamate
Technical Specifications
| Molecular Formula | C21H35NO3 |
| Molecular Weight | 349.2617 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 349.2617 Da |
| Heavy Atoms | 25 |
| Complexity | 537.0 |
| SMILES | C[C@]12CC[C@@H](C[C@@H]1CCC3C2CC[C@]4(C3CC[C@@H]4NC(=O)OC)C)O |
| InChIKey | CEZKLEHYJURHTB-LTBRJRAASA-N |
Chemical Property Profile of Methyl hydrogen (3-hydroxyandrostan-17-yl)carbonimidate
Property Insights of Methyl hydrogen (3-hydroxyandrostan-17-yl)carbonimidate
The XLogP value of 4.6 indicates that Methyl hydrogen (3-hydroxyandrostan-17-yl)carbonimidate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.6 Ų, Methyl hydrogen (3-hydroxyandrostan-17-yl)carbonimidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl hydrogen (3-hydroxyandrostan-17-yl)carbonimidate has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl hydrogen (3-hydroxyandrostan-17-yl)carbonimidate?
The CAS number of Methyl hydrogen (3-hydroxyandrostan-17-yl)carbonimidate is 126054-45-3.
What is the molecular formula of Methyl hydrogen (3-hydroxyandrostan-17-yl)carbonimidate?
The molecular formula of Methyl hydrogen (3-hydroxyandrostan-17-yl)carbonimidate is C21H35NO3.
What is the molecular weight of Methyl hydrogen (3-hydroxyandrostan-17-yl)carbonimidate?
The molecular weight of Methyl hydrogen (3-hydroxyandrostan-17-yl)carbonimidate is 349.2617 g/mol.
Where can I buy Methyl hydrogen (3-hydroxyandrostan-17-yl)carbonimidate?
You can request a quote for Methyl hydrogen (3-hydroxyandrostan-17-yl)carbonimidate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl hydrogen (3-hydroxyandrostan-17-yl)carbonimidate?
Yes, CoreyChem provides custom synthesis services for Methyl hydrogen (3-hydroxyandrostan-17-yl)carbonimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.