三羟基粪烷
TL;DR: 三羟基粪烷 (CAS 547-96-6) is a chemical compound with molecular formula C27H48O3 and molecular weight 420.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三羟基粪烷
10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
Also Known As: Trihydroxycoprostane, trihydroxycholestane, 3,7,12-Trihydroxycoprostane, 10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
| Molecular Formula | C27H48O3 |
|---|---|
| Molecular Weight | 420.36 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.36035 |
| Heavy Atoms | 30 |
| Complexity | 605.0 |
Chemical Identifiers
| CAS Number | 547-96-6 |
|---|---|
| SMILES | CC(C)CCCC(C)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C |
| InChIKey | RIVQQZVHIVNQFH-UHFFFAOYSA-N |
Product Overview
三羟基粪烷 (CAS 547-96-6), with molecular formula C27H48O3 and molecular weight 420.36 g/mol. IUPAC: 10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol.
Chemical Property Profile of 三羟基粪烷
Property Insights of 三羟基粪烷
The XLogP value of 6.7 indicates that 三羟基粪烷 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 三羟基粪烷. Following Lipinski's Rule of Five, 三羟基粪烷 has 3 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 三羟基粪烷?
The CAS number of 三羟基粪烷 is 547-96-6.
What is the molecular formula of 三羟基粪烷?
The molecular formula of 三羟基粪烷 is C27H48O3.
What is the molecular weight of 三羟基粪烷?
The molecular weight of 三羟基粪烷 is 420.36 g/mol.
Where can I buy 三羟基粪烷?
You can request a quote for 三羟基粪烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三羟基粪烷?
Yes, KEHONG BIO provides custom synthesis services for 三羟基粪烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.