牛膝甾酮
TL;DR: 牛膝甾酮 (CAS 23261-09-8) is a chemical compound with molecular formula C27H44O7 and molecular weight 480.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
牛膝甾酮
(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,7-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
Also Known As: Inokosterone, Callinecdysone A, (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,7-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one, (22R)-2beta,3beta,14,20,22,26-Hexahydroxy-5beta-cholest-7-en-6-one, (20R,22R)-2beta,3beta,14alpha,20,22,26-Hexahydroxy-5beta-cholest-7-en-6-one
| Molecular Formula | C27H44O7 |
|---|---|
| Molecular Weight | 480.31 g/mol |
| LogP | 1.7115 |
| Topological Polar Surface Area | 138.45 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 480.30872 |
| Heavy Atoms | 34 |
| Complexity | 838.83527 |
Chemical Identifiers
| CAS Number | 23261-09-8 |
|---|---|
| SMILES | CC(CC[C@H]([C@@](C)([C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C)O)O)O)CO |
Product Overview
牛膝甾酮 (CAS 23261-09-8), with molecular formula C27H44O7 and molecular weight 480.31 g/mol. IUPAC: (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,7-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one.
Chemical Property Profile of 牛膝甾酮
Property Insights of 牛膝甾酮
The XLogP value of 1.7115 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 牛膝甾酮. The TPSA of 138.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 牛膝甾酮. Following Lipinski's Rule of Five, 牛膝甾酮 has 6 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 牛膝甾酮?
The CAS number of 牛膝甾酮 is 23261-09-8.
What is the molecular formula of 牛膝甾酮?
The molecular formula of 牛膝甾酮 is C27H44O7.
What is the molecular weight of 牛膝甾酮?
The molecular weight of 牛膝甾酮 is 480.31 g/mol.
Where can I buy 牛膝甾酮?
You can request a quote for 牛膝甾酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 牛膝甾酮?
Yes, KEHONG BIO provides custom synthesis services for 牛膝甾酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.