Cholestan-3-ol, 3-carbonochloridate, (3beta,5alpha)-
TL;DR: Cholestan-3-ol, 3-carbonochloridate, (3beta,5alpha)- (CAS 36043-80-8) is a chemical compound with molecular formula C28H47ClO2 and molecular weight 450.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] carbonochloridate
Also Known As: N-decyl-phthalimide, Cholestan-3-ol, carbonochloridate, (3beta,5alpha)-, Cholestan-3-ol, 3-carbonochloridate, (3beta,5alpha)-, Cholestan-3-ol, carbonochloridate, (3b,5a)-, Chloridocarbonic acid 5alpha-cholestan-3beta-yl ester
| Molecular Formula | C28H47ClO2 |
|---|---|
| Molecular Weight | 450.33 g/mol |
| LogP | 11.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 450.32645 |
| Heavy Atoms | 31 |
| Complexity | 647.0 |
Chemical Identifiers
| CAS Number | 36043-80-8 |
|---|---|
| SMILES | C[C@H](CCCC(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)OC(=O)Cl)C)C |
| InChIKey | MZPORZAJWGKMGX-AYPRRHFASA-N |
Product Overview
Cholestan-3-ol, 3-carbonochloridate, (3beta,5alpha)- (CAS 36043-80-8), with molecular formula C28H47ClO2 and molecular weight 450.33 g/mol. IUPAC: [(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] carbonochloridate.
Chemical Property Profile of Cholestan-3-ol, 3-carbonochloridate, (3beta,5alpha)-
Property Insights of Cholestan-3-ol, 3-carbonochloridate, (3beta,5alpha)-
The XLogP value of 11.0 indicates that Cholestan-3-ol, 3-carbonochloridate, (3beta,5alpha)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Cholestan-3-ol, 3-carbonochloridate, (3beta,5alpha)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cholestan-3-ol, 3-carbonochloridate, (3beta,5alpha)- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cholestan-3-ol, 3-carbonochloridate, (3beta,5alpha)-?
The CAS number of Cholestan-3-ol, 3-carbonochloridate, (3beta,5alpha)- is 36043-80-8.
What is the molecular formula of Cholestan-3-ol, 3-carbonochloridate, (3beta,5alpha)-?
The molecular formula of Cholestan-3-ol, 3-carbonochloridate, (3beta,5alpha)- is C28H47ClO2.
What is the molecular weight of Cholestan-3-ol, 3-carbonochloridate, (3beta,5alpha)-?
The molecular weight of Cholestan-3-ol, 3-carbonochloridate, (3beta,5alpha)- is 450.33 g/mol.
Where can I buy Cholestan-3-ol, 3-carbonochloridate, (3beta,5alpha)-?
You can request a quote for Cholestan-3-ol, 3-carbonochloridate, (3beta,5alpha)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cholestan-3-ol, 3-carbonochloridate, (3beta,5alpha)-?
Yes, KEHONG BIO provides custom synthesis services for Cholestan-3-ol, 3-carbonochloridate, (3beta,5alpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.