3-(Propan-2-yloxycarbonylamino)benzoic acid
TL;DR: 3-(Propan-2-yloxycarbonylamino)benzoic acid (CAS 1701-08-2) is a chemical compound with molecular formula C11H13NO4 and molecular weight 223.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(propan-2-yloxycarbonylamino)benzoic acid
Also Known As: 3-(propan-2-yloxycarbonylamino)benzoic acid, n-methyl-3,5-di-tert-butyl-salycilaldimine, 3-{[(propan-2-yloxy)carbonyl]amino}benzoic acid, Benzoic acid,3-[[(1-methylethoxy)carbonyl]amino]-, 3-({[(Propan-2-yl)oxy]carbonyl}amino)benzoic acid
| Molecular Formula | C11H13NO4 |
|---|---|
| Molecular Weight | 223.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 223.08446 |
| Heavy Atoms | 16 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 1701-08-2 |
|---|---|
| SMILES | CC(C)OC(=O)NC1=CC=CC(=C1)C(=O)O |
| InChIKey | YQZCBYMQSLHUAG-UHFFFAOYSA-N |
Product Overview
3-(Propan-2-yloxycarbonylamino)benzoic acid (CAS 1701-08-2), with molecular formula C11H13NO4 and molecular weight 223.08 g/mol. IUPAC: 3-(propan-2-yloxycarbonylamino)benzoic acid.
Chemical Property Profile of 3-(Propan-2-yloxycarbonylamino)benzoic acid
Property Insights of 3-(Propan-2-yloxycarbonylamino)benzoic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Propan-2-yloxycarbonylamino)benzoic acid. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Propan-2-yloxycarbonylamino)benzoic acid. Following Lipinski's Rule of Five, 3-(Propan-2-yloxycarbonylamino)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 3-(Propan-2-yloxycarbonylamino)benzoic acid?
The CAS number of 3-(Propan-2-yloxycarbonylamino)benzoic acid is 1701-08-2.
What is the molecular formula of 3-(Propan-2-yloxycarbonylamino)benzoic acid?
The molecular formula of 3-(Propan-2-yloxycarbonylamino)benzoic acid is C11H13NO4.
What is the molecular weight of 3-(Propan-2-yloxycarbonylamino)benzoic acid?
The molecular weight of 3-(Propan-2-yloxycarbonylamino)benzoic acid is 223.08 g/mol.
Where can I buy 3-(Propan-2-yloxycarbonylamino)benzoic acid?
You can request a quote for 3-(Propan-2-yloxycarbonylamino)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Propan-2-yloxycarbonylamino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Propan-2-yloxycarbonylamino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.