水龙骨甾酮B
TL;DR: 水龙骨甾酮B (CAS 18069-14-2) is a chemical compound with molecular formula C25H42O3 and molecular weight 390.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
水龙骨甾酮B
methyl (4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
Also Known As: Methyl lithocholate, methyl(3, A,5, A)-3-hydroxycholan-24-oate, 3alpha-Ol-5alpha-24-cholanoic acid methyl ester
| Molecular Formula | C25H42O3 |
|---|---|
| Molecular Weight | 390.31 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.3134 |
| Heavy Atoms | 28 |
| Complexity | 588.0 |
Chemical Identifiers
| CAS Number | 18069-14-2 |
|---|---|
| SMILES | C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)O)C)C |
| InChIKey | YXZVCZUDUJEPPK-IZZHPKMPSA-N |
Product Overview
水龙骨甾酮B (CAS 18069-14-2), with molecular formula C25H42O3 and molecular weight 390.31 g/mol. IUPAC: methyl (4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate.
Chemical Property Profile of 水龙骨甾酮B
Property Insights of 水龙骨甾酮B
The XLogP value of 6.6 indicates that 水龙骨甾酮B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 水龙骨甾酮B exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 水龙骨甾酮B has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 水龙骨甾酮B?
The CAS number of 水龙骨甾酮B is 18069-14-2.
What is the molecular formula of 水龙骨甾酮B?
The molecular formula of 水龙骨甾酮B is C25H42O3.
What is the molecular weight of 水龙骨甾酮B?
The molecular weight of 水龙骨甾酮B is 390.31 g/mol.
Where can I buy 水龙骨甾酮B?
You can request a quote for 水龙骨甾酮B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 水龙骨甾酮B?
Yes, KEHONG BIO provides custom synthesis services for 水龙骨甾酮B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.