1-(2,3-Dimethylanilino)-1-oxopropan-2-yl 3-chlorobenzoate
TL;DR: 1-(2,3-Dimethylanilino)-1-oxopropan-2-yl 3-chlorobenzoate (CAS 6898-58-4) is a chemical compound with molecular formula C18H18ClNO3 and molecular weight 331.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(2,3-dimethylanilino)-1-oxopropan-2-yl] 3-chlorobenzoate
Also Known As: 1-(2,3-Dimethylanilino)-1-oxopropan-2-yl 3-chlorobenzoate, [1-(2,3-dimethylanilino)-1-oxopropan-2-yl] 3-chlorobenzoate
| Molecular Formula | C18H18ClNO3 |
|---|---|
| Molecular Weight | 331.10 g/mol |
| LogP | 4.14084 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.09753 |
| Heavy Atoms | 23 |
| Complexity | 742.7966 |
Chemical Identifiers
| CAS Number | 6898-58-4 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)NC(=O)C(C)OC(=O)C2=CC(=CC=C2)Cl)C |
Product Overview
1-(2,3-Dimethylanilino)-1-oxopropan-2-yl 3-chlorobenzoate (CAS 6898-58-4), with molecular formula C18H18ClNO3 and molecular weight 331.10 g/mol. IUPAC: [1-(2,3-dimethylanilino)-1-oxopropan-2-yl] 3-chlorobenzoate.
Chemical Property Profile of 1-(2,3-Dimethylanilino)-1-oxopropan-2-yl 3-chlorobenzoate
Property Insights of 1-(2,3-Dimethylanilino)-1-oxopropan-2-yl 3-chlorobenzoate
The XLogP value of 4.14084 indicates that 1-(2,3-Dimethylanilino)-1-oxopropan-2-yl 3-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 1-(2,3-Dimethylanilino)-1-oxopropan-2-yl 3-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,3-Dimethylanilino)-1-oxopropan-2-yl 3-chlorobenzoate 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 1-(2,3-Dimethylanilino)-1-oxopropan-2-yl 3-chlorobenzoate?
The CAS number of 1-(2,3-Dimethylanilino)-1-oxopropan-2-yl 3-chlorobenzoate is 6898-58-4.
What is the molecular formula of 1-(2,3-Dimethylanilino)-1-oxopropan-2-yl 3-chlorobenzoate?
The molecular formula of 1-(2,3-Dimethylanilino)-1-oxopropan-2-yl 3-chlorobenzoate is C18H18ClNO3.
What is the molecular weight of 1-(2,3-Dimethylanilino)-1-oxopropan-2-yl 3-chlorobenzoate?
The molecular weight of 1-(2,3-Dimethylanilino)-1-oxopropan-2-yl 3-chlorobenzoate is 331.10 g/mol.
Where can I buy 1-(2,3-Dimethylanilino)-1-oxopropan-2-yl 3-chlorobenzoate?
You can request a quote for 1-(2,3-Dimethylanilino)-1-oxopropan-2-yl 3-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,3-Dimethylanilino)-1-oxopropan-2-yl 3-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,3-Dimethylanilino)-1-oxopropan-2-yl 3-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.