RefChem:1076986
TL;DR: RefChem:1076986 (CAS 114967-76-9) is a chemical compound with molecular formula C22H40INO and molecular weight 461.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(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]-trimethylazanium iodide
Also Known As: Ammonium, (3-beta-hydroxy-5-alpha-androstan-17-beta-yl)trimethyl-, iodide, Androstan-17-aminium, 3-hydroxy-N,N,N-trimethyl-, iodide, (3-beta,5-alpha,17-beta)-, 3-Hydroxy-N,N,N-trimethylandrostan-17-aminium iodide, 3beta-Hydroxy-N,N,N-trimethyl-5alpha-androstan-17beta-aminium iodide, [(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]-trimethylazanium iodide
| Molecular Formula | C22H40INO |
|---|---|
| Molecular Weight | 461.22 g/mol |
| LogP | 1.4688 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 461.21545 |
| Heavy Atoms | 25 |
| Complexity | 502.7459 |
Chemical Identifiers
| CAS Number | 114967-76-9 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4[N+](C)(C)C)C)O.[I-] |
Product Overview
RefChem:1076986 (CAS 114967-76-9), with molecular formula C22H40INO and molecular weight 461.22 g/mol. IUPAC: [(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]-trimethylazanium iodide.
Chemical Property Profile of RefChem:1076986
Property Insights of RefChem:1076986
The XLogP value of 1.4688 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1076986. With a topological polar surface area (TPSA) of 20.23 Ų, RefChem:1076986 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1076986 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:1076986?
The CAS number of RefChem:1076986 is 114967-76-9.
What is the molecular formula of RefChem:1076986?
The molecular formula of RefChem:1076986 is C22H40INO.
What is the molecular weight of RefChem:1076986?
The molecular weight of RefChem:1076986 is 461.22 g/mol.
Where can I buy RefChem:1076986?
You can request a quote for RefChem:1076986 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1076986?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1076986 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.