RefChem:1076987
TL;DR: RefChem:1076987 (CAS 114967-77-0) is a chemical compound with molecular formula C23H42BrNO and molecular weight 427.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl-[(3S,5S,8R,9S,10S,13S,14S,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]-dimethylazanium bromide
Also Known As: N-(3-beta-Hydroxy-5-alpha-androstan-17-beta-yl)-N,N-dimethyl-N-ethylammonium bromide, Androstan-17-aminium, N,N-dimethyl-N-ethyl-3-hydroxy-, bromide, (3-beta,5-alpha,17-beta)-, N-Ethyl-3-hydroxy-N,N-dimethylandrostan-17-aminium bromide, N-Ethyl-3beta-hydroxy-N,N-dimethyl-5alpha-androstan-17beta-aminium bromide, ethyl-[(3S,5S,8R,9S,10S,13S,14S,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]-dimethylazanium bromide
| Molecular Formula | C23H42BrNO |
|---|---|
| Molecular Weight | 427.25 g/mol |
| LogP | 1.8589 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 427.245 |
| Heavy Atoms | 26 |
| Complexity | 522.3372 |
Chemical Identifiers
| CAS Number | 114967-77-0 |
|---|---|
| SMILES | CC[N+](C)(C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C.[Br-] |
Product Overview
RefChem:1076987 (CAS 114967-77-0), with molecular formula C23H42BrNO and molecular weight 427.25 g/mol. IUPAC: ethyl-[(3S,5S,8R,9S,10S,13S,14S,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]-dimethylazanium bromide.
Chemical Property Profile of RefChem:1076987
Property Insights of RefChem:1076987
The XLogP value of 1.8589 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1076987. With a topological polar surface area (TPSA) of 20.23 Ų, RefChem:1076987 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1076987 has 1 hydrogen bond donor(s) and 1 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 RefChem:1076987?
The CAS number of RefChem:1076987 is 114967-77-0.
What is the molecular formula of RefChem:1076987?
The molecular formula of RefChem:1076987 is C23H42BrNO.
What is the molecular weight of RefChem:1076987?
The molecular weight of RefChem:1076987 is 427.25 g/mol.
Where can I buy RefChem:1076987?
You can request a quote for RefChem:1076987 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1076987?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1076987 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.