2-(Octylcarbamoyl)benzoic acid
TL;DR: 2-(Octylcarbamoyl)benzoic acid (CAS 6953-87-3) is a chemical compound with molecular formula C16H23NO3 and molecular weight 277.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(octylcarbamoyl)benzoic acid
Also Known As: 2-(octylcarbamoyl)benzoic acid, N-Octyl-phthalamic acid, BAS 00074625, J3.801.380G
| Molecular Formula | C16H23NO3 |
|---|---|
| Molecular Weight | 277.17 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 277.1678 |
| Heavy Atoms | 20 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 6953-87-3 |
|---|---|
| SMILES | CCCCCCCCNC(=O)C1=CC=CC=C1C(=O)O |
| InChIKey | NRHPZGCFLLISEZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Octylcarbamoyl)benzoic acid (CAS 6953-87-3), with molecular formula C16H23NO3 and molecular weight 277.17 g/mol. IUPAC: 2-(octylcarbamoyl)benzoic acid.
Chemical Property Profile of 2-(Octylcarbamoyl)benzoic acid
Property Insights of 2-(Octylcarbamoyl)benzoic acid
The XLogP value of 3.0 indicates that 2-(Octylcarbamoyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Octylcarbamoyl)benzoic acid. Following Lipinski's Rule of Five, 2-(Octylcarbamoyl)benzoic acid has 2 hydrogen bond donor(s) and 3 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-(Octylcarbamoyl)benzoic acid?
The CAS number of 2-(Octylcarbamoyl)benzoic acid is 6953-87-3.
What is the molecular formula of 2-(Octylcarbamoyl)benzoic acid?
The molecular formula of 2-(Octylcarbamoyl)benzoic acid is C16H23NO3.
What is the molecular weight of 2-(Octylcarbamoyl)benzoic acid?
The molecular weight of 2-(Octylcarbamoyl)benzoic acid is 277.17 g/mol.
Where can I buy 2-(Octylcarbamoyl)benzoic acid?
You can request a quote for 2-(Octylcarbamoyl)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-(Octylcarbamoyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Octylcarbamoyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.