N-isopropylterephthalamic acid
TL;DR: N-isopropylterephthalamic acid (CAS 779-47-5) is a chemical compound with molecular formula C11H13NO3 and molecular weight 207.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(propan-2-ylcarbamoyl)benzoic acid
Also Known As: N-Isopropylterephthalamic acid, 4-(Isopropylcarbamoyl)benzoic acid, Terephthalic acid isopropylamide, 4-(propan-2-ylcarbamoyl)benzoic acid, Terephthalamic acid, N-isopropyl-
| Molecular Formula | C11H13NO3 |
|---|---|
| Molecular Weight | 207.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.08954 |
| Heavy Atoms | 15 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 779-47-5 |
|---|---|
| SMILES | CC(C)NC(=O)C1=CC=C(C=C1)C(=O)O |
| InChIKey | PRCGIFCKPACTDG-UHFFFAOYSA-N |
Product Overview
N-isopropylterephthalamic acid (CAS 779-47-5), with molecular formula C11H13NO3 and molecular weight 207.09 g/mol. IUPAC: 4-(propan-2-ylcarbamoyl)benzoic acid.
Chemical Property Profile of N-isopropylterephthalamic acid
Property Insights of N-isopropylterephthalamic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-isopropylterephthalamic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-isopropylterephthalamic acid. Following Lipinski's Rule of Five, N-isopropylterephthalamic 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 N-isopropylterephthalamic acid?
The CAS number of N-isopropylterephthalamic acid is 779-47-5.
What is the molecular formula of N-isopropylterephthalamic acid?
The molecular formula of N-isopropylterephthalamic acid is C11H13NO3.
What is the molecular weight of N-isopropylterephthalamic acid?
The molecular weight of N-isopropylterephthalamic acid is 207.09 g/mol.
Where can I buy N-isopropylterephthalamic acid?
You can request a quote for N-isopropylterephthalamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-isopropylterephthalamic acid?
Yes, KEHONG BIO provides custom synthesis services for N-isopropylterephthalamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.