3-(3,4,5-Trimethoxyphenyl)pentanedioic acid
TL;DR: 3-(3,4,5-Trimethoxyphenyl)pentanedioic acid (CAS 100973-36-2) is a chemical compound with molecular formula C14H18O7 and molecular weight 298.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4,5-trimethoxyphenyl)pentanedioic acid
Also Known As: 3-(3,4,5-trimethoxyphenyl)pentanedioic acid, (4-Phenylazo-phenyl)-propyl-amine, Pentanedioic acid,4,5-trimethoxyphenyl)-, A-(3,4,5-Trimethoxy-phenyl)-glutarsaeure, Pentanedioic acid, 3-(3,4,5-trimethoxyphenyl)-
| Molecular Formula | C14H18O7 |
|---|---|
| Molecular Weight | 298.11 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 298.10526 |
| Heavy Atoms | 21 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 100973-36-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(CC(=O)O)CC(=O)O |
| InChIKey | XLJDNPGZFKBWJE-UHFFFAOYSA-N |
Product Overview
3-(3,4,5-Trimethoxyphenyl)pentanedioic acid (CAS 100973-36-2), with molecular formula C14H18O7 and molecular weight 298.11 g/mol. IUPAC: 3-(3,4,5-trimethoxyphenyl)pentanedioic acid.
Chemical Property Profile of 3-(3,4,5-Trimethoxyphenyl)pentanedioic acid
Property Insights of 3-(3,4,5-Trimethoxyphenyl)pentanedioic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,4,5-Trimethoxyphenyl)pentanedioic acid. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,4,5-Trimethoxyphenyl)pentanedioic acid. Following Lipinski's Rule of Five, 3-(3,4,5-Trimethoxyphenyl)pentanedioic acid has 2 hydrogen bond donor(s) and 7 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 3-(3,4,5-Trimethoxyphenyl)pentanedioic acid?
The CAS number of 3-(3,4,5-Trimethoxyphenyl)pentanedioic acid is 100973-36-2.
What is the molecular formula of 3-(3,4,5-Trimethoxyphenyl)pentanedioic acid?
The molecular formula of 3-(3,4,5-Trimethoxyphenyl)pentanedioic acid is C14H18O7.
What is the molecular weight of 3-(3,4,5-Trimethoxyphenyl)pentanedioic acid?
The molecular weight of 3-(3,4,5-Trimethoxyphenyl)pentanedioic acid is 298.11 g/mol.
Where can I buy 3-(3,4,5-Trimethoxyphenyl)pentanedioic acid?
You can request a quote for 3-(3,4,5-Trimethoxyphenyl)pentanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,4,5-Trimethoxyphenyl)pentanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4,5-Trimethoxyphenyl)pentanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.