![2-{[3-(1,3-Benzodioxol-5-yl)-3-phenylpropyl]carbamoyl}benzoic acid structure](/static/products/376/376378-87-9.png)
2-{[3-(1,3-Benzodioxol-5-yl)-3-phenylpropyl]carbamoyl}benzoic acid
TL;DR: 2-{[3-(1,3-Benzodioxol-5-yl)-3-phenylpropyl]carbamoyl}benzoic acid (CAS 376378-87-9) is a chemical compound with molecular formula C24H21NO5 and molecular weight 403.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(1,3-benzodioxol-5-yl)-3-phenylpropyl]carbamoyl]benzoic acid
Also Known As: AL-281/40838138, 2-((3-(benzo[d][1,3]dioxol-5-yl)-3-phenylpropyl)carbamoyl)benzoic acid, 2-({[3-(1,3-benzodioxol-5-yl)-3-phenylpropyl]amino}carbonyl)benzoic acid, 2-[(3-benzo[1,3]dioxol-5-yl-3-phenyl-propyl)carbamoyl]benzoic Acid, 2-[[3-(1,3-benzodioxol-5-yl)-3-phenylpropyl]carbamoyl]benzoic acid
| Molecular Formula | C24H21NO5 |
|---|---|
| Molecular Weight | 403.14 g/mol |
| LogP | 4.0655 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 403.14197 |
| Heavy Atoms | 30 |
| Complexity | 1064.2013 |
Chemical Identifiers
| CAS Number | 376378-87-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(CCNC(=O)C3=CC=CC=C3C(=O)O)C4=CC=CC=C4 |
Product Overview
2-{[3-(1,3-Benzodioxol-5-yl)-3-phenylpropyl]carbamoyl}benzoic acid (CAS 376378-87-9), with molecular formula C24H21NO5 and molecular weight 403.14 g/mol. IUPAC: 2-[[3-(1,3-benzodioxol-5-yl)-3-phenylpropyl]carbamoyl]benzoic acid.
Chemical Property Profile of 2-{[3-(1,3-Benzodioxol-5-yl)-3-phenylpropyl]carbamoyl}benzoic acid
Property Insights of 2-{[3-(1,3-Benzodioxol-5-yl)-3-phenylpropyl]carbamoyl}benzoic acid
The XLogP value of 4.0655 indicates that 2-{[3-(1,3-Benzodioxol-5-yl)-3-phenylpropyl]carbamoyl}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[3-(1,3-Benzodioxol-5-yl)-3-phenylpropyl]carbamoyl}benzoic acid. Following Lipinski's Rule of Five, 2-{[3-(1,3-Benzodioxol-5-yl)-3-phenylpropyl]carbamoyl}benzoic acid has 2 hydrogen bond donor(s) and 4 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-{[3-(1,3-Benzodioxol-5-yl)-3-phenylpropyl]carbamoyl}benzoic acid?
The CAS number of 2-{[3-(1,3-Benzodioxol-5-yl)-3-phenylpropyl]carbamoyl}benzoic acid is 376378-87-9.
What is the molecular formula of 2-{[3-(1,3-Benzodioxol-5-yl)-3-phenylpropyl]carbamoyl}benzoic acid?
The molecular formula of 2-{[3-(1,3-Benzodioxol-5-yl)-3-phenylpropyl]carbamoyl}benzoic acid is C24H21NO5.
What is the molecular weight of 2-{[3-(1,3-Benzodioxol-5-yl)-3-phenylpropyl]carbamoyl}benzoic acid?
The molecular weight of 2-{[3-(1,3-Benzodioxol-5-yl)-3-phenylpropyl]carbamoyl}benzoic acid is 403.14 g/mol.
Where can I buy 2-{[3-(1,3-Benzodioxol-5-yl)-3-phenylpropyl]carbamoyl}benzoic acid?
You can request a quote for 2-{[3-(1,3-Benzodioxol-5-yl)-3-phenylpropyl]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-{[3-(1,3-Benzodioxol-5-yl)-3-phenylpropyl]carbamoyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[3-(1,3-Benzodioxol-5-yl)-3-phenylpropyl]carbamoyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.