7,12-Dohoca
TL;DR: 7,12-Dohoca (CAS 78094-13-0) is a chemical compound with molecular formula C27H44O4 and molecular weight 432.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R)-6-[(5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptanal
Also Known As: 7,12-Dohoca, 7,12-Dihydroxy-3-oxocholestan-26-al, 7alpha,12alpha-Dihydroxy-3-oxo-5beta-cholestan-26-al, A,12, A-dihydroxy-3-oxo-5
| Molecular Formula | C27H44O4 |
|---|---|
| Molecular Weight | 432.32 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 432.32397 |
| Heavy Atoms | 31 |
| Complexity | 691.0 |
Chemical Identifiers
| CAS Number | 78094-13-0 |
|---|---|
| SMILES | C[C@H](CCCC(C)C=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(CCC(=O)C4)C)O)O)C |
| InChIKey | WDNCFNNWKSWQLA-SSGCBCEYSA-N |
Product Overview
7,12-Dohoca (CAS 78094-13-0), with molecular formula C27H44O4 and molecular weight 432.32 g/mol. IUPAC: (6R)-6-[(5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptanal.
Chemical Property Profile of 7,12-Dohoca
Property Insights of 7,12-Dohoca
The XLogP value of 4.7 indicates that 7,12-Dohoca is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 7,12-Dohoca. Following Lipinski's Rule of Five, 7,12-Dohoca has 2 hydrogen bond donor(s) and 4 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 7,12-Dohoca?
The CAS number of 7,12-Dohoca is 78094-13-0.
What is the molecular formula of 7,12-Dohoca?
The molecular formula of 7,12-Dohoca is C27H44O4.
What is the molecular weight of 7,12-Dohoca?
The molecular weight of 7,12-Dohoca is 432.32 g/mol.
Where can I buy 7,12-Dohoca?
You can request a quote for 7,12-Dohoca directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,12-Dohoca?
Yes, KEHONG BIO provides custom synthesis services for 7,12-Dohoca and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.