(3S,5S,8R,9S,10S,13S,14S,16E)-3-hydroxy-16-(hydroxymethylide
TL;DR: (3S,5S,8R,9S,10S,13S,14S,16E)-3-hydroxy-16-(hydroxymethylide (CAS 6174-76-1) is a chemical compound with molecular formula C20H30O3 and molecular weight 318.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5S,8R,9S,10S,13S,14S)-3-hydroxy-16-(hydroxymethylidene)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-one
Also Known As: (3S,5S,8R,9S,10S,13S,14S,16E)-3-hydroxy-16-(hydroxymethylide
| Molecular Formula | C20H30O3 |
|---|---|
| Molecular Weight | 318.22 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 318.21948 |
| Heavy Atoms | 23 |
| Complexity | 553.0 |
Chemical Identifiers
| CAS Number | 6174-76-1 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC(=CO)C4=O)C)O |
| InChIKey | LIURKLQQPKKGSQ-DCHBRCABSA-N |
Product Overview
(3S,5S,8R,9S,10S,13S,14S,16E)-3-hydroxy-16-(hydroxymethylide (CAS 6174-76-1), with molecular formula C20H30O3 and molecular weight 318.22 g/mol. IUPAC: (3S,5S,8R,9S,10S,13S,14S)-3-hydroxy-16-(hydroxymethylidene)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-one.
Chemical Property Profile of (3S,5S,8R,9S,10S,13S,14S,16E)-3-hydroxy-16-(hydroxymethylide
Property Insights of (3S,5S,8R,9S,10S,13S,14S,16E)-3-hydroxy-16-(hydroxymethylide
The XLogP value of 4.1 indicates that (3S,5S,8R,9S,10S,13S,14S,16E)-3-hydroxy-16-(hydroxymethylide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, (3S,5S,8R,9S,10S,13S,14S,16E)-3-hydroxy-16-(hydroxymethylide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3S,5S,8R,9S,10S,13S,14S,16E)-3-hydroxy-16-(hydroxymethylide has 2 hydrogen bond donor(s) and 3 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 (3S,5S,8R,9S,10S,13S,14S,16E)-3-hydroxy-16-(hydroxymethylide?
The CAS number of (3S,5S,8R,9S,10S,13S,14S,16E)-3-hydroxy-16-(hydroxymethylide is 6174-76-1.
What is the molecular formula of (3S,5S,8R,9S,10S,13S,14S,16E)-3-hydroxy-16-(hydroxymethylide?
The molecular formula of (3S,5S,8R,9S,10S,13S,14S,16E)-3-hydroxy-16-(hydroxymethylide is C20H30O3.
What is the molecular weight of (3S,5S,8R,9S,10S,13S,14S,16E)-3-hydroxy-16-(hydroxymethylide?
The molecular weight of (3S,5S,8R,9S,10S,13S,14S,16E)-3-hydroxy-16-(hydroxymethylide is 318.22 g/mol.
Where can I buy (3S,5S,8R,9S,10S,13S,14S,16E)-3-hydroxy-16-(hydroxymethylide?
You can request a quote for (3S,5S,8R,9S,10S,13S,14S,16E)-3-hydroxy-16-(hydroxymethylide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S,5S,8R,9S,10S,13S,14S,16E)-3-hydroxy-16-(hydroxymethylide?
Yes, KEHONG BIO provides custom synthesis services for (3S,5S,8R,9S,10S,13S,14S,16E)-3-hydroxy-16-(hydroxymethylide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.