![Benzoic acid, 4-[[[4-(1-methylethyl)phenyl]amino]carbonyl]-, methyl ester structure](/static/products/102/102121-30-2.png)
Benzoic acid, 4-[[[4-(1-methylethyl)phenyl]amino]carbonyl]-, methyl ester
TL;DR: Benzoic acid, 4-[[[4-(1-methylethyl)phenyl]amino]carbonyl]-, methyl ester (CAS 102121-30-2) is a chemical compound with molecular formula C18H19NO3 and molecular weight 297.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(4-propan-2-ylphenyl)carbamoyl]benzoate
Also Known As: Benzoic acid, 4-[[[4-(1-methylethyl)phenyl]amino]carbonyl]-, methyl ester, methyl 4-[(4-propan-2-ylphenyl)carbamoyl]benzoate, Methyl 4-((4-isopropylphenyl)carbamoyl)benzoate, Methyl 4-{[4-(propan-2-yl)phenyl]carbamoyl}benzoate
| Molecular Formula | C18H19NO3 |
|---|---|
| Molecular Weight | 297.14 g/mol |
| LogP | 3.8489 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.1365 |
| Heavy Atoms | 22 |
| Complexity | 657.7366 |
Chemical Identifiers
| CAS Number | 102121-30-2 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C(=O)OC |
Product Overview
Benzoic acid, 4-[[[4-(1-methylethyl)phenyl]amino]carbonyl]-, methyl ester (CAS 102121-30-2), with molecular formula C18H19NO3 and molecular weight 297.14 g/mol. IUPAC: methyl 4-[(4-propan-2-ylphenyl)carbamoyl]benzoate.
Chemical Property Profile of Benzoic acid, 4-[[[4-(1-methylethyl)phenyl]amino]carbonyl]-, methyl ester
Property Insights of Benzoic acid, 4-[[[4-(1-methylethyl)phenyl]amino]carbonyl]-, methyl ester
The XLogP value of 3.8489 indicates that Benzoic acid, 4-[[[4-(1-methylethyl)phenyl]amino]carbonyl]-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Benzoic acid, 4-[[[4-(1-methylethyl)phenyl]amino]carbonyl]-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-[[[4-(1-methylethyl)phenyl]amino]carbonyl]-, methyl ester 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 Benzoic acid, 4-[[[4-(1-methylethyl)phenyl]amino]carbonyl]-, methyl ester?
The CAS number of Benzoic acid, 4-[[[4-(1-methylethyl)phenyl]amino]carbonyl]-, methyl ester is 102121-30-2.
What is the molecular formula of Benzoic acid, 4-[[[4-(1-methylethyl)phenyl]amino]carbonyl]-, methyl ester?
The molecular formula of Benzoic acid, 4-[[[4-(1-methylethyl)phenyl]amino]carbonyl]-, methyl ester is C18H19NO3.
What is the molecular weight of Benzoic acid, 4-[[[4-(1-methylethyl)phenyl]amino]carbonyl]-, methyl ester?
The molecular weight of Benzoic acid, 4-[[[4-(1-methylethyl)phenyl]amino]carbonyl]-, methyl ester is 297.14 g/mol.
Where can I buy Benzoic acid, 4-[[[4-(1-methylethyl)phenyl]amino]carbonyl]-, methyl ester?
You can request a quote for Benzoic acid, 4-[[[4-(1-methylethyl)phenyl]amino]carbonyl]-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-[[[4-(1-methylethyl)phenyl]amino]carbonyl]-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-[[[4-(1-methylethyl)phenyl]amino]carbonyl]-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.