![2-{[2-(3,4-Dimethoxyphenyl)ethyl]carbamoyl}benzoic acid structure](/static/products/1017/101730-66-9.webp)
2-{[2-(3,4-Dimethoxyphenyl)ethyl]carbamoyl}benzoic acid
TL;DR: 2-{[2-(3,4-Dimethoxyphenyl)ethyl]carbamoyl}benzoic acid (CAS 101730-66-9) is a chemical compound with molecular formula C18H19NO5 and molecular weight 329.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]benzoic acid
Also Known As: starbld0027298, 2-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}benzoic acid, BAS 00821013, 2-((3,4-Dimethoxyphenethyl)carbamoyl)benzoic acid, 2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]benzoic acid
| Molecular Formula | C18H19NO5 |
|---|---|
| Molecular Weight | 329.13 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 84.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 329.1263 |
| Heavy Atoms | 24 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 101730-66-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)C2=CC=CC=C2C(=O)O)OC |
| InChIKey | VVCMUAMIHKGLDJ-UHFFFAOYSA-N |
Product Overview
2-{[2-(3,4-Dimethoxyphenyl)ethyl]carbamoyl}benzoic acid (CAS 101730-66-9), with molecular formula C18H19NO5 and molecular weight 329.13 g/mol. IUPAC: 2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]benzoic acid.
Chemical Property Profile of 2-{[2-(3,4-Dimethoxyphenyl)ethyl]carbamoyl}benzoic acid
Property Insights of 2-{[2-(3,4-Dimethoxyphenyl)ethyl]carbamoyl}benzoic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[2-(3,4-Dimethoxyphenyl)ethyl]carbamoyl}benzoic acid. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[2-(3,4-Dimethoxyphenyl)ethyl]carbamoyl}benzoic acid. Following Lipinski's Rule of Five, 2-{[2-(3,4-Dimethoxyphenyl)ethyl]carbamoyl}benzoic acid has 2 hydrogen bond donor(s) and 5 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 2-{[2-(3,4-Dimethoxyphenyl)ethyl]carbamoyl}benzoic acid?
The CAS number of 2-{[2-(3,4-Dimethoxyphenyl)ethyl]carbamoyl}benzoic acid is 101730-66-9.
What is the molecular formula of 2-{[2-(3,4-Dimethoxyphenyl)ethyl]carbamoyl}benzoic acid?
The molecular formula of 2-{[2-(3,4-Dimethoxyphenyl)ethyl]carbamoyl}benzoic acid is C18H19NO5.
What is the molecular weight of 2-{[2-(3,4-Dimethoxyphenyl)ethyl]carbamoyl}benzoic acid?
The molecular weight of 2-{[2-(3,4-Dimethoxyphenyl)ethyl]carbamoyl}benzoic acid is 329.13 g/mol.
Where can I buy 2-{[2-(3,4-Dimethoxyphenyl)ethyl]carbamoyl}benzoic acid?
You can request a quote for 2-{[2-(3,4-Dimethoxyphenyl)ethyl]carbamoyl}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[2-(3,4-Dimethoxyphenyl)ethyl]carbamoyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[2-(3,4-Dimethoxyphenyl)ethyl]carbamoyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.