2-Benzamido-3-(1,3-benzodioxol-5-yl)propanoic acid
TL;DR: 2-Benzamido-3-(1,3-benzodioxol-5-yl)propanoic acid (CAS 6265-77-6) is a chemical compound with molecular formula C17H15NO5 and molecular weight 313.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzamido-3-(1,3-benzodioxol-5-yl)propanoic acid
Also Known As: 3-(1,3-benzodioxol-5-yl)-n-benzoylalanine, alpha-Benzoylamino-1,3-benzodioxole-5-propionic acid, 2-benzamido-3-(1,3-benzodioxol-5-yl)propanoic acid, 3-(2H-1,3-benzodioxol-5-yl)-2-(phenylformamido)propanoic acid
| Molecular Formula | C17H15NO5 |
|---|---|
| Molecular Weight | 313.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 84.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.09503 |
| Heavy Atoms | 23 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 6265-77-6 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CC(C(=O)O)NC(=O)C3=CC=CC=C3 |
| InChIKey | BRJYOLARVAXBNQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzamido-3-(1,3-benzodioxol-5-yl)propanoic acid (CAS 6265-77-6), with molecular formula C17H15NO5 and molecular weight 313.10 g/mol. IUPAC: 2-benzamido-3-(1,3-benzodioxol-5-yl)propanoic acid.
Chemical Property Profile of 2-Benzamido-3-(1,3-benzodioxol-5-yl)propanoic acid
Property Insights of 2-Benzamido-3-(1,3-benzodioxol-5-yl)propanoic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzamido-3-(1,3-benzodioxol-5-yl)propanoic acid. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzamido-3-(1,3-benzodioxol-5-yl)propanoic acid. Following Lipinski's Rule of Five, 2-Benzamido-3-(1,3-benzodioxol-5-yl)propanoic 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-Benzamido-3-(1,3-benzodioxol-5-yl)propanoic acid?
The CAS number of 2-Benzamido-3-(1,3-benzodioxol-5-yl)propanoic acid is 6265-77-6.
What is the molecular formula of 2-Benzamido-3-(1,3-benzodioxol-5-yl)propanoic acid?
The molecular formula of 2-Benzamido-3-(1,3-benzodioxol-5-yl)propanoic acid is C17H15NO5.
What is the molecular weight of 2-Benzamido-3-(1,3-benzodioxol-5-yl)propanoic acid?
The molecular weight of 2-Benzamido-3-(1,3-benzodioxol-5-yl)propanoic acid is 313.10 g/mol.
Where can I buy 2-Benzamido-3-(1,3-benzodioxol-5-yl)propanoic acid?
You can request a quote for 2-Benzamido-3-(1,3-benzodioxol-5-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzamido-3-(1,3-benzodioxol-5-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzamido-3-(1,3-benzodioxol-5-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.