4-Isobutoxycarbonylamino-benzoic acid
TL;DR: 4-Isobutoxycarbonylamino-benzoic acid (CAS 108273-33-2) is a chemical compound with molecular formula C12H15NO4 and molecular weight 237.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-methylpropoxycarbonylamino)benzoic acid
Also Known As: 4-Isobutoxycarbonylamino-benzoic acid, 4-((isobutoxycarbonyl)amino)benzoic acid, 4-(2-methylpropoxycarbonylamino)benzoic acid, 4-{[(2-methylpropoxy)carbonyl]amino}benzoic acid
| Molecular Formula | C12H15NO4 |
|---|---|
| Molecular Weight | 237.10 g/mol |
| LogP | 2.5893 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 237.10011 |
| Heavy Atoms | 17 |
| Complexity | 397.4716 |
Chemical Identifiers
| CAS Number | 108273-33-2 |
|---|---|
| SMILES | CC(C)COC(=O)NC1=CC=C(C=C1)C(=O)O |
Product Overview
4-Isobutoxycarbonylamino-benzoic acid (CAS 108273-33-2), with molecular formula C12H15NO4 and molecular weight 237.10 g/mol. IUPAC: 4-(2-methylpropoxycarbonylamino)benzoic acid.
Chemical Property Profile of 4-Isobutoxycarbonylamino-benzoic acid
Property Insights of 4-Isobutoxycarbonylamino-benzoic acid
The XLogP value of 2.5893 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Isobutoxycarbonylamino-benzoic acid. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Isobutoxycarbonylamino-benzoic acid. Following Lipinski's Rule of Five, 4-Isobutoxycarbonylamino-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 4-Isobutoxycarbonylamino-benzoic acid?
The CAS number of 4-Isobutoxycarbonylamino-benzoic acid is 108273-33-2.
What is the molecular formula of 4-Isobutoxycarbonylamino-benzoic acid?
The molecular formula of 4-Isobutoxycarbonylamino-benzoic acid is C12H15NO4.
What is the molecular weight of 4-Isobutoxycarbonylamino-benzoic acid?
The molecular weight of 4-Isobutoxycarbonylamino-benzoic acid is 237.10 g/mol.
Where can I buy 4-Isobutoxycarbonylamino-benzoic acid?
You can request a quote for 4-Isobutoxycarbonylamino-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-Isobutoxycarbonylamino-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Isobutoxycarbonylamino-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.