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Benzoic acid, 4-[(4-chlorophenyl)methylamino]-, methyl ester
TL;DR: Benzoic acid, 4-[(4-chlorophenyl)methylamino]-, methyl ester (CAS 67846-65-5) is a chemical compound with molecular formula C15H14ClNO2 and molecular weight 275.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-chloro-N-methylanilino)benzoate
Also Known As: methyl4-[methylamino]benzoate, methyl4-[ methylamino]benzoate, methyl 4-[(4-chlorophenyl)(methyl)amino]benzoate, Methyl 4-((4-chlorophenyl)methylamino)benzoate, methyl 4-[(4-chlorophenyl)methylamino]benzoate
| Molecular Formula | C15H14ClNO2 |
|---|---|
| Molecular Weight | 275.07 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.07132 |
| Heavy Atoms | 19 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 67846-65-5 |
|---|---|
| SMILES | CN(C1=CC=C(C=C1)C(=O)OC)C2=CC=C(C=C2)Cl |
| InChIKey | AFQIBKPAYGTAHX-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-[(4-chlorophenyl)methylamino]-, methyl ester (CAS 67846-65-5), with molecular formula C15H14ClNO2 and molecular weight 275.07 g/mol. IUPAC: methyl 4-(4-chloro-N-methylanilino)benzoate.
Chemical Property Profile of Benzoic acid, 4-[(4-chlorophenyl)methylamino]-, methyl ester
Property Insights of Benzoic acid, 4-[(4-chlorophenyl)methylamino]-, methyl ester
The XLogP value of 4.4 indicates that Benzoic acid, 4-[(4-chlorophenyl)methylamino]-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Benzoic acid, 4-[(4-chlorophenyl)methylamino]-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-[(4-chlorophenyl)methylamino]-, methyl ester has 0 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-chlorophenyl)methylamino]-, methyl ester?
The CAS number of Benzoic acid, 4-[(4-chlorophenyl)methylamino]-, methyl ester is 67846-65-5.
What is the molecular formula of Benzoic acid, 4-[(4-chlorophenyl)methylamino]-, methyl ester?
The molecular formula of Benzoic acid, 4-[(4-chlorophenyl)methylamino]-, methyl ester is C15H14ClNO2.
What is the molecular weight of Benzoic acid, 4-[(4-chlorophenyl)methylamino]-, methyl ester?
The molecular weight of Benzoic acid, 4-[(4-chlorophenyl)methylamino]-, methyl ester is 275.07 g/mol.
Where can I buy Benzoic acid, 4-[(4-chlorophenyl)methylamino]-, methyl ester?
You can request a quote for Benzoic acid, 4-[(4-chlorophenyl)methylamino]-, 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-chlorophenyl)methylamino]-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-[(4-chlorophenyl)methylamino]-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.