3,4-Dichlorobenzyl 3-(acetylamino)-4-methylbenzoate
TL;DR: 3,4-Dichlorobenzyl 3-(acetylamino)-4-methylbenzoate (CAS 692286-48-9) is a chemical compound with molecular formula C17H15Cl2NO3 and molecular weight 351.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4-dichlorophenyl)methyl 3-acetamido-4-methylbenzoate
Also Known As: 3,4-dichlorobenzyl 3-(acetylamino)-4-methylbenzoate, 3,4-dichlorobenzyl 3-acetamido-4-methylbenzoate, (3,4-dichlorophenyl)methyl 3-acetamido-4-methylbenzoate
| Molecular Formula | C17H15Cl2NO3 |
|---|---|
| Molecular Weight | 351.04 g/mol |
| LogP | 4.61722 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.0429 |
| Heavy Atoms | 23 |
| Complexity | 759.49884 |
Chemical Identifiers
| CAS Number | 692286-48-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)OCC2=CC(=C(C=C2)Cl)Cl)NC(=O)C |
Product Overview
3,4-Dichlorobenzyl 3-(acetylamino)-4-methylbenzoate (CAS 692286-48-9), with molecular formula C17H15Cl2NO3 and molecular weight 351.04 g/mol. IUPAC: (3,4-dichlorophenyl)methyl 3-acetamido-4-methylbenzoate.
Chemical Property Profile of 3,4-Dichlorobenzyl 3-(acetylamino)-4-methylbenzoate
Property Insights of 3,4-Dichlorobenzyl 3-(acetylamino)-4-methylbenzoate
The XLogP value of 4.61722 indicates that 3,4-Dichlorobenzyl 3-(acetylamino)-4-methylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 3,4-Dichlorobenzyl 3-(acetylamino)-4-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dichlorobenzyl 3-(acetylamino)-4-methylbenzoate 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 3,4-Dichlorobenzyl 3-(acetylamino)-4-methylbenzoate?
The CAS number of 3,4-Dichlorobenzyl 3-(acetylamino)-4-methylbenzoate is 692286-48-9.
What is the molecular formula of 3,4-Dichlorobenzyl 3-(acetylamino)-4-methylbenzoate?
The molecular formula of 3,4-Dichlorobenzyl 3-(acetylamino)-4-methylbenzoate is C17H15Cl2NO3.
What is the molecular weight of 3,4-Dichlorobenzyl 3-(acetylamino)-4-methylbenzoate?
The molecular weight of 3,4-Dichlorobenzyl 3-(acetylamino)-4-methylbenzoate is 351.04 g/mol.
Where can I buy 3,4-Dichlorobenzyl 3-(acetylamino)-4-methylbenzoate?
You can request a quote for 3,4-Dichlorobenzyl 3-(acetylamino)-4-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dichlorobenzyl 3-(acetylamino)-4-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dichlorobenzyl 3-(acetylamino)-4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.