Benzoic acid, 5-(benzoylamino)-2-chloro-, 1-methylethyl ester
TL;DR: Benzoic acid, 5-(benzoylamino)-2-chloro-, 1-methylethyl ester (CAS 135813-46-6) is a chemical compound with molecular formula C17H16ClNO3 and molecular weight 317.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 5-benzamido-2-chlorobenzoate
Also Known As: Benzcarboxanilide deriv., propan-2-yl 5-benzamido-2-chlorobenzoate, Benzoic acid, 5-(benzoylamino)-2-chloro-, 1-methylethyl ester, isopropyl 5-benzamido-2-chloro-benzoate, propan-2-yl5-benzamido-2-chloro-benzoate
| Molecular Formula | C17H16ClNO3 |
|---|---|
| Molecular Weight | 317.08 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 317.08188 |
| Heavy Atoms | 22 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 135813-46-6 |
|---|---|
| SMILES | CC(C)OC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2)Cl |
| InChIKey | XXZDYDXEASTJNF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 5-(benzoylamino)-2-chloro-, 1-methylethyl ester (CAS 135813-46-6), with molecular formula C17H16ClNO3 and molecular weight 317.08 g/mol. IUPAC: propan-2-yl 5-benzamido-2-chlorobenzoate.
Chemical Property Profile of Benzoic acid, 5-(benzoylamino)-2-chloro-, 1-methylethyl ester
Property Insights of Benzoic acid, 5-(benzoylamino)-2-chloro-, 1-methylethyl ester
The XLogP value of 4.4 indicates that Benzoic acid, 5-(benzoylamino)-2-chloro-, 1-methylethyl 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, 5-(benzoylamino)-2-chloro-, 1-methylethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 5-(benzoylamino)-2-chloro-, 1-methylethyl 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, 5-(benzoylamino)-2-chloro-, 1-methylethyl ester?
The CAS number of Benzoic acid, 5-(benzoylamino)-2-chloro-, 1-methylethyl ester is 135813-46-6.
What is the molecular formula of Benzoic acid, 5-(benzoylamino)-2-chloro-, 1-methylethyl ester?
The molecular formula of Benzoic acid, 5-(benzoylamino)-2-chloro-, 1-methylethyl ester is C17H16ClNO3.
What is the molecular weight of Benzoic acid, 5-(benzoylamino)-2-chloro-, 1-methylethyl ester?
The molecular weight of Benzoic acid, 5-(benzoylamino)-2-chloro-, 1-methylethyl ester is 317.08 g/mol.
Where can I buy Benzoic acid, 5-(benzoylamino)-2-chloro-, 1-methylethyl ester?
You can request a quote for Benzoic acid, 5-(benzoylamino)-2-chloro-, 1-methylethyl 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, 5-(benzoylamino)-2-chloro-, 1-methylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 5-(benzoylamino)-2-chloro-, 1-methylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.