4,5-Dimethoxy-2-(3-phenylpropanoylamino)benzoic acid
TL;DR: 4,5-Dimethoxy-2-(3-phenylpropanoylamino)benzoic acid (CAS 405901-78-2) 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.
4,5-dimethoxy-2-(3-phenylpropanoylamino)benzoic acid
Also Known As: 4,5-dimethoxy-2-(3-phenylpropanoylamino)benzoic acid, 4,5-DIMETHOXY-2-(3-PHENYLPROPANAMIDO)BENZOIC ACID, 4,5-dimethoxy-2-[(3-phenylpropanoyl)amino]benzoic acid, A2897/0122016, Benzoic acid, 4,5-dimethoxy-2-(3-phenylpropionylamino)-
| Molecular Formula | C18H19NO5 |
|---|---|
| Molecular Weight | 329.13 g/mol |
| LogP | 3.0 |
| 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 | 422.0 |
Chemical Identifiers
| CAS Number | 405901-78-2 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C(=O)O)NC(=O)CCC2=CC=CC=C2)OC |
| InChIKey | ODZDJABMNTVTNJ-UHFFFAOYSA-N |
Product Overview
4,5-Dimethoxy-2-(3-phenylpropanoylamino)benzoic acid (CAS 405901-78-2), with molecular formula C18H19NO5 and molecular weight 329.13 g/mol. IUPAC: 4,5-dimethoxy-2-(3-phenylpropanoylamino)benzoic acid.
Chemical Property Profile of 4,5-Dimethoxy-2-(3-phenylpropanoylamino)benzoic acid
Property Insights of 4,5-Dimethoxy-2-(3-phenylpropanoylamino)benzoic acid
The XLogP value of 3.0 indicates that 4,5-Dimethoxy-2-(3-phenylpropanoylamino)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Dimethoxy-2-(3-phenylpropanoylamino)benzoic acid. Following Lipinski's Rule of Five, 4,5-Dimethoxy-2-(3-phenylpropanoylamino)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 4,5-Dimethoxy-2-(3-phenylpropanoylamino)benzoic acid?
The CAS number of 4,5-Dimethoxy-2-(3-phenylpropanoylamino)benzoic acid is 405901-78-2.
What is the molecular formula of 4,5-Dimethoxy-2-(3-phenylpropanoylamino)benzoic acid?
The molecular formula of 4,5-Dimethoxy-2-(3-phenylpropanoylamino)benzoic acid is C18H19NO5.
What is the molecular weight of 4,5-Dimethoxy-2-(3-phenylpropanoylamino)benzoic acid?
The molecular weight of 4,5-Dimethoxy-2-(3-phenylpropanoylamino)benzoic acid is 329.13 g/mol.
Where can I buy 4,5-Dimethoxy-2-(3-phenylpropanoylamino)benzoic acid?
You can request a quote for 4,5-Dimethoxy-2-(3-phenylpropanoylamino)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dimethoxy-2-(3-phenylpropanoylamino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dimethoxy-2-(3-phenylpropanoylamino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.