16alpha-Hydroxytrametenolic acid
TL;DR: 16alpha-Hydroxytrametenolic acid (CAS 176390-68-4) is a chemical compound with molecular formula C30H48O4 and molecular weight 472.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-[(3S,5R,10S,13R,14R,16R,17R)-3,16-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acid
Also Known As: 16alpha-Hydroxytrametenolic acid, 16, A-Hydroxytrametenolic acid, 16, _-Hydroxytrametenolic acid
| Molecular Formula | C30H48O4 |
|---|---|
| Molecular Weight | 472.36 g/mol |
| LogP | 6.5146 |
| Topological Polar Surface Area | 77.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 472.35526 |
| Heavy Atoms | 34 |
| Complexity | 895.4814 |
Chemical Identifiers
| CAS Number | 176390-68-4 |
|---|---|
| SMILES | CC(=CCC[C@H]([C@H]1[C@@H](C[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C)O)C(=O)O)C |
Product Overview
16alpha-Hydroxytrametenolic acid (CAS 176390-68-4), with molecular formula C30H48O4 and molecular weight 472.36 g/mol. IUPAC: (2R)-2-[(3S,5R,10S,13R,14R,16R,17R)-3,16-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acid.
Chemical Property Profile of 16alpha-Hydroxytrametenolic acid
Property Insights of 16alpha-Hydroxytrametenolic acid
The XLogP value of 6.5146 indicates that 16alpha-Hydroxytrametenolic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 16alpha-Hydroxytrametenolic acid. Following Lipinski's Rule of Five, 16alpha-Hydroxytrametenolic acid 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 16alpha-Hydroxytrametenolic acid?
The CAS number of 16alpha-Hydroxytrametenolic acid is 176390-68-4.
What is the molecular formula of 16alpha-Hydroxytrametenolic acid?
The molecular formula of 16alpha-Hydroxytrametenolic acid is C30H48O4.
What is the molecular weight of 16alpha-Hydroxytrametenolic acid?
The molecular weight of 16alpha-Hydroxytrametenolic acid is 472.36 g/mol.
Where can I buy 16alpha-Hydroxytrametenolic acid?
You can request a quote for 16alpha-Hydroxytrametenolic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16alpha-Hydroxytrametenolic acid?
Yes, KEHONG BIO provides custom synthesis services for 16alpha-Hydroxytrametenolic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.