3,7,12-Triformoxycholan-24-al
TL;DR: 3,7,12-Triformoxycholan-24-al (CAS 90996-29-5) is a chemical compound with molecular formula C27H40O7 and molecular weight 476.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-diformyloxy-10,13-dimethyl-17-[(2R)-5-oxopentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate
Also Known As: 3,7,12-Triformoxycholan-24-al, 3,7,12-TFCA, KST-1A8843, 24-Oxocholane-3,7,12-triyl triformate, J1.490.189B
| Molecular Formula | C27H40O7 |
|---|---|
| Molecular Weight | 476.28 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 96.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 476.2774 |
| Heavy Atoms | 34 |
| Complexity | 770.0 |
Chemical Identifiers
| CAS Number | 90996-29-5 |
|---|---|
| SMILES | C[C@H](CCC=O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)OC=O)C)OC=O)OC=O)C |
| InChIKey | ZTRYXNAUTGXGCK-XJZYBRFWSA-N |
Product Overview
3,7,12-Triformoxycholan-24-al (CAS 90996-29-5), with molecular formula C27H40O7 and molecular weight 476.28 g/mol. IUPAC: [(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-diformyloxy-10,13-dimethyl-17-[(2R)-5-oxopentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate.
Chemical Property Profile of 3,7,12-Triformoxycholan-24-al
Property Insights of 3,7,12-Triformoxycholan-24-al
The XLogP value of 5.3 indicates that 3,7,12-Triformoxycholan-24-al is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,7,12-Triformoxycholan-24-al. Following Lipinski's Rule of Five, 3,7,12-Triformoxycholan-24-al has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,7,12-Triformoxycholan-24-al?
The CAS number of 3,7,12-Triformoxycholan-24-al is 90996-29-5.
What is the molecular formula of 3,7,12-Triformoxycholan-24-al?
The molecular formula of 3,7,12-Triformoxycholan-24-al is C27H40O7.
What is the molecular weight of 3,7,12-Triformoxycholan-24-al?
The molecular weight of 3,7,12-Triformoxycholan-24-al is 476.28 g/mol.
Where can I buy 3,7,12-Triformoxycholan-24-al?
You can request a quote for 3,7,12-Triformoxycholan-24-al directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7,12-Triformoxycholan-24-al?
Yes, KEHONG BIO provides custom synthesis services for 3,7,12-Triformoxycholan-24-al and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.