3,14,22,25-Tetrahydroxycholest-7-ene-2,6-dione
TL;DR: 3,14,22,25-Tetrahydroxycholest-7-ene-2,6-dione (CAS 113846-79-0) is a chemical compound with molecular formula C27H42O6 and molecular weight 462.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,5R,9R,10R,13R,17R)-17-[(2S)-3,6-dihydroxy-6-methylheptan-2-yl]-3,14-dihydroxy-10,13-dimethyl-1,3,4,5,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthrene-2,6-dione
Also Known As: 2-Dehydroecdysone, KST-1A1017, 3,14,22,25-Tetrahydroxycholest-7-ene-2,6-dione, (3, A,5
| Molecular Formula | C27H42O6 |
|---|---|
| Molecular Weight | 462.30 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 462.29813 |
| Heavy Atoms | 33 |
| Complexity | 863.0 |
Chemical Identifiers
| CAS Number | 113846-79-0 |
|---|---|
| SMILES | C[C@@H]([C@H]1CCC2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(CC(=O)[C@@H](C4)O)C)C)O)C(CCC(C)(C)O)O |
| InChIKey | YFZGVPBGGOOZPB-VZILBXHNSA-N |
Product Overview
3,14,22,25-Tetrahydroxycholest-7-ene-2,6-dione (CAS 113846-79-0), with molecular formula C27H42O6 and molecular weight 462.30 g/mol. IUPAC: (3R,5R,9R,10R,13R,17R)-17-[(2S)-3,6-dihydroxy-6-methylheptan-2-yl]-3,14-dihydroxy-10,13-dimethyl-1,3,4,5,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthrene-2,6-dione.
Chemical Property Profile of 3,14,22,25-Tetrahydroxycholest-7-ene-2,6-dione
Property Insights of 3,14,22,25-Tetrahydroxycholest-7-ene-2,6-dione
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,14,22,25-Tetrahydroxycholest-7-ene-2,6-dione. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,14,22,25-Tetrahydroxycholest-7-ene-2,6-dione. Following Lipinski's Rule of Five, 3,14,22,25-Tetrahydroxycholest-7-ene-2,6-dione has 4 hydrogen bond donor(s) and 6 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 3,14,22,25-Tetrahydroxycholest-7-ene-2,6-dione?
The CAS number of 3,14,22,25-Tetrahydroxycholest-7-ene-2,6-dione is 113846-79-0.
What is the molecular formula of 3,14,22,25-Tetrahydroxycholest-7-ene-2,6-dione?
The molecular formula of 3,14,22,25-Tetrahydroxycholest-7-ene-2,6-dione is C27H42O6.
What is the molecular weight of 3,14,22,25-Tetrahydroxycholest-7-ene-2,6-dione?
The molecular weight of 3,14,22,25-Tetrahydroxycholest-7-ene-2,6-dione is 462.30 g/mol.
Where can I buy 3,14,22,25-Tetrahydroxycholest-7-ene-2,6-dione?
You can request a quote for 3,14,22,25-Tetrahydroxycholest-7-ene-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,14,22,25-Tetrahydroxycholest-7-ene-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3,14,22,25-Tetrahydroxycholest-7-ene-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.