5-alpha-Cholestane-3-beta,5,6-beta-triol, 3,6-diformate
TL;DR: 5-alpha-Cholestane-3-beta,5,6-beta-triol, 3,6-diformate (CAS 15676-25-2) is a chemical compound with molecular formula C29H48O5 and molecular weight 476.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,5R,6R,8S,9S,10R,13R,14S,17R)-6-formyloxy-5-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] formate
Also Known As: CTDF, 5-Hydroxycholestane-3,6-diyl diformate, 5-alpha-Cholestane-3-beta,5,6-beta-triol, 3,6-diformate, 3-06-00-06424 (Beilstein Handbook Reference), 3beta,6beta-Bis(formyloxy)-5alpha-cholestan-5-ol
| Molecular Formula | C29H48O5 |
|---|---|
| Molecular Weight | 476.35 g/mol |
| LogP | 8.1 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 476.3502 |
| Heavy Atoms | 34 |
| Complexity | 738.0 |
Chemical Identifiers
| CAS Number | 15676-25-2 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@@]4([C@@]3(CC[C@@H](C4)OC=O)C)O)OC=O)C |
| InChIKey | ORKRIQNIYZTVFP-OYYJYTPZSA-N |
Product Overview
5-alpha-Cholestane-3-beta,5,6-beta-triol, 3,6-diformate (CAS 15676-25-2), with molecular formula C29H48O5 and molecular weight 476.35 g/mol. IUPAC: [(3S,5R,6R,8S,9S,10R,13R,14S,17R)-6-formyloxy-5-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] formate.
Chemical Property Profile of 5-alpha-Cholestane-3-beta,5,6-beta-triol, 3,6-diformate
Property Insights of 5-alpha-Cholestane-3-beta,5,6-beta-triol, 3,6-diformate
The XLogP value of 8.1 indicates that 5-alpha-Cholestane-3-beta,5,6-beta-triol, 3,6-diformate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-alpha-Cholestane-3-beta,5,6-beta-triol, 3,6-diformate. Following Lipinski's Rule of Five, 5-alpha-Cholestane-3-beta,5,6-beta-triol, 3,6-diformate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-alpha-Cholestane-3-beta,5,6-beta-triol, 3,6-diformate?
The CAS number of 5-alpha-Cholestane-3-beta,5,6-beta-triol, 3,6-diformate is 15676-25-2.
What is the molecular formula of 5-alpha-Cholestane-3-beta,5,6-beta-triol, 3,6-diformate?
The molecular formula of 5-alpha-Cholestane-3-beta,5,6-beta-triol, 3,6-diformate is C29H48O5.
What is the molecular weight of 5-alpha-Cholestane-3-beta,5,6-beta-triol, 3,6-diformate?
The molecular weight of 5-alpha-Cholestane-3-beta,5,6-beta-triol, 3,6-diformate is 476.35 g/mol.
Where can I buy 5-alpha-Cholestane-3-beta,5,6-beta-triol, 3,6-diformate?
You can request a quote for 5-alpha-Cholestane-3-beta,5,6-beta-triol, 3,6-diformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-alpha-Cholestane-3-beta,5,6-beta-triol, 3,6-diformate?
Yes, KEHONG BIO provides custom synthesis services for 5-alpha-Cholestane-3-beta,5,6-beta-triol, 3,6-diformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.