4-O-Methyl-tpa
TL;DR: 4-O-Methyl-tpa (CAS 57716-89-9) is a chemical compound with molecular formula C37H58O8 and molecular weight 630.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,6R,10S,11R,13S,14R,15R)-13-acetyloxy-1-hydroxy-8-(hydroxymethyl)-6-methoxy-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] tetradecanoate
Also Known As: 4-O-Methyl-tpa, ulen-9-yl ester, Me-Tpa, 4-methyl-TPA, MPMA
| Molecular Formula | C37H58O8 |
|---|---|
| Molecular Weight | 630.41 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 18 |
| Exact Mass | 630.41315 |
| Heavy Atoms | 45 |
| Complexity | 1170.0 |
Chemical Identifiers
| CAS Number | 57716-89-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H]([C@]2([C@@H](C=C(C[C@]3([C@H]2C=C(C3=O)C)OC)CO)[C@H]4[C@@]1(C4(C)C)OC(=O)C)O)C |
| InChIKey | VCWNAJUHTLWQQT-XCHBPHIQSA-N |
Product Overview
4-O-Methyl-tpa (CAS 57716-89-9), with molecular formula C37H58O8 and molecular weight 630.41 g/mol. IUPAC: [(1S,2S,6R,10S,11R,13S,14R,15R)-13-acetyloxy-1-hydroxy-8-(hydroxymethyl)-6-methoxy-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] tetradecanoate.
Chemical Property Profile of 4-O-Methyl-tpa
Property Insights of 4-O-Methyl-tpa
The XLogP value of 7.1 indicates that 4-O-Methyl-tpa is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-O-Methyl-tpa. Following Lipinski's Rule of Five, 4-O-Methyl-tpa has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-O-Methyl-tpa?
The CAS number of 4-O-Methyl-tpa is 57716-89-9.
What is the molecular formula of 4-O-Methyl-tpa?
The molecular formula of 4-O-Methyl-tpa is C37H58O8.
What is the molecular weight of 4-O-Methyl-tpa?
The molecular weight of 4-O-Methyl-tpa is 630.41 g/mol.
Where can I buy 4-O-Methyl-tpa?
You can request a quote for 4-O-Methyl-tpa directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-O-Methyl-tpa?
Yes, KEHONG BIO provides custom synthesis services for 4-O-Methyl-tpa and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.