3-(二丙基氨基甲酰)苯甲酸
TL;DR: 3-(二丙基氨基甲酰)苯甲酸 (CAS 126926-35-0) is a chemical compound with molecular formula C14H19NO3 and molecular weight 249.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(二丙基氨基甲酰)苯甲酸
3-(dipropylcarbamoyl)benzoic acid
Also Known As: 3-(dipropylcarbamoyl)benzoic acid, N,N-dipropyl-isophthalamic acid, N,N-Dipropylisophthalamic acid, 3-[(dipropylamino)carbonyl]Benzoic acid, Benzoic acid, 3-((dipropylamino)carbonyl)-
| Molecular Formula | C14H19NO3 |
|---|---|
| Molecular Weight | 249.14 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 249.13649 |
| Heavy Atoms | 18 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 126926-35-0 |
|---|---|
| SMILES | CCCN(CCC)C(=O)C1=CC(=CC=C1)C(=O)O |
| InChIKey | BEOWTCBXKHFAAK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(二丙基氨基甲酰)苯甲酸 (CAS 126926-35-0), with molecular formula C14H19NO3 and molecular weight 249.14 g/mol. IUPAC: 3-(dipropylcarbamoyl)benzoic acid.
Chemical Property Profile of 3-(二丙基氨基甲酰)苯甲酸
Property Insights of 3-(二丙基氨基甲酰)苯甲酸
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(二丙基氨基甲酰)苯甲酸. With a topological polar surface area (TPSA) of 57.6 Ų, 3-(二丙基氨基甲酰)苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(二丙基氨基甲酰)苯甲酸 has 1 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 3-(二丙基氨基甲酰)苯甲酸?
The CAS number of 3-(二丙基氨基甲酰)苯甲酸 is 126926-35-0.
What is the molecular formula of 3-(二丙基氨基甲酰)苯甲酸?
The molecular formula of 3-(二丙基氨基甲酰)苯甲酸 is C14H19NO3.
What is the molecular weight of 3-(二丙基氨基甲酰)苯甲酸?
The molecular weight of 3-(二丙基氨基甲酰)苯甲酸 is 249.14 g/mol.
Where can I buy 3-(二丙基氨基甲酰)苯甲酸?
You can request a quote for 3-(二丙基氨基甲酰)苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(二丙基氨基甲酰)苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3-(二丙基氨基甲酰)苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.