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Methyl 2-[(2-chloroacetyl)amino]-4,5-dimethoxybenzoate
TL;DR: Methyl 2-[(2-chloroacetyl)amino]-4,5-dimethoxybenzoate (CAS 285138-76-3) is a chemical compound with molecular formula C12H14ClNO5 and molecular weight 287.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2-chloroacetyl)amino]-4,5-dimethoxybenzoate
Also Known As: methyl 2-[(2-chloroacetyl)amino]-4,5-dimethoxybenzoate, methyl 2-(2-chloroacetamido)-4,5-dimethoxybenzoate, METHYL2-[ AMINO]-4,5-DIMETHOXYBENZOATE, Benzoic acid, 2-[(2-chloroacetyl)amino]-4,5-dimethoxy-, methyl ester, Benzoic acid,2-[(2-chloroacetyl)amino]-4,5-dimethoxy-, methyl ester
| Molecular Formula | C12H14ClNO5 |
|---|---|
| Molecular Weight | 287.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 73.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 287.05606 |
| Heavy Atoms | 19 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 285138-76-3 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CCl)OC |
| InChIKey | SRNHCPUGVKCQNI-UHFFFAOYSA-N |
Product Overview
Methyl 2-[(2-chloroacetyl)amino]-4,5-dimethoxybenzoate (CAS 285138-76-3), with molecular formula C12H14ClNO5 and molecular weight 287.06 g/mol. IUPAC: methyl 2-[(2-chloroacetyl)amino]-4,5-dimethoxybenzoate.
Chemical Property Profile of Methyl 2-[(2-chloroacetyl)amino]-4,5-dimethoxybenzoate
Property Insights of Methyl 2-[(2-chloroacetyl)amino]-4,5-dimethoxybenzoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[(2-chloroacetyl)amino]-4,5-dimethoxybenzoate. The TPSA of 73.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[(2-chloroacetyl)amino]-4,5-dimethoxybenzoate. Following Lipinski's Rule of Five, Methyl 2-[(2-chloroacetyl)amino]-4,5-dimethoxybenzoate has 1 hydrogen bond donor(s) and 5 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 Methyl 2-[(2-chloroacetyl)amino]-4,5-dimethoxybenzoate?
The CAS number of Methyl 2-[(2-chloroacetyl)amino]-4,5-dimethoxybenzoate is 285138-76-3.
What is the molecular formula of Methyl 2-[(2-chloroacetyl)amino]-4,5-dimethoxybenzoate?
The molecular formula of Methyl 2-[(2-chloroacetyl)amino]-4,5-dimethoxybenzoate is C12H14ClNO5.
What is the molecular weight of Methyl 2-[(2-chloroacetyl)amino]-4,5-dimethoxybenzoate?
The molecular weight of Methyl 2-[(2-chloroacetyl)amino]-4,5-dimethoxybenzoate is 287.06 g/mol.
Where can I buy Methyl 2-[(2-chloroacetyl)amino]-4,5-dimethoxybenzoate?
You can request a quote for Methyl 2-[(2-chloroacetyl)amino]-4,5-dimethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[(2-chloroacetyl)amino]-4,5-dimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[(2-chloroacetyl)amino]-4,5-dimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.