4-(4-Carboxy-3-methylbutanamido)benzoic acid
TL;DR: 4-(4-Carboxy-3-methylbutanamido)benzoic acid (CAS 690992-13-3) is a chemical compound with molecular formula C13H15NO5 and molecular weight 265.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-carboxy-3-methylbutanoyl)amino]benzoic acid
Also Known As: ChemDiv2_001363, CBKinase1_002666, CBKinase1_015066, 4-(4-CARBOXY-3-METHYLBUTANAMIDO)BENZOIC ACID, 4-[(4-carboxy-3-methylbutanoyl)amino]benzoic acid
| Molecular Formula | C13H15NO5 |
|---|---|
| Molecular Weight | 265.10 g/mol |
| LogP | 1.8242 |
| Topological Polar Surface Area | 103.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 265.09503 |
| Heavy Atoms | 19 |
| Complexity | 480.31186 |
Chemical Identifiers
| CAS Number | 690992-13-3 |
|---|---|
| SMILES | CC(CC(=O)NC1=CC=C(C=C1)C(=O)O)CC(=O)O |
Product Overview
4-(4-Carboxy-3-methylbutanamido)benzoic acid (CAS 690992-13-3), with molecular formula C13H15NO5 and molecular weight 265.10 g/mol. IUPAC: 4-[(4-carboxy-3-methylbutanoyl)amino]benzoic acid.
Chemical Property Profile of 4-(4-Carboxy-3-methylbutanamido)benzoic acid
Property Insights of 4-(4-Carboxy-3-methylbutanamido)benzoic acid
The XLogP value of 1.8242 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Carboxy-3-methylbutanamido)benzoic acid. The TPSA of 103.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Carboxy-3-methylbutanamido)benzoic acid. Following Lipinski's Rule of Five, 4-(4-Carboxy-3-methylbutanamido)benzoic acid has 3 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 4-(4-Carboxy-3-methylbutanamido)benzoic acid?
The CAS number of 4-(4-Carboxy-3-methylbutanamido)benzoic acid is 690992-13-3.
What is the molecular formula of 4-(4-Carboxy-3-methylbutanamido)benzoic acid?
The molecular formula of 4-(4-Carboxy-3-methylbutanamido)benzoic acid is C13H15NO5.
What is the molecular weight of 4-(4-Carboxy-3-methylbutanamido)benzoic acid?
The molecular weight of 4-(4-Carboxy-3-methylbutanamido)benzoic acid is 265.10 g/mol.
Where can I buy 4-(4-Carboxy-3-methylbutanamido)benzoic acid?
You can request a quote for 4-(4-Carboxy-3-methylbutanamido)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-(4-Carboxy-3-methylbutanamido)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Carboxy-3-methylbutanamido)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.