![Methyl 5-chloro-2-[2-(3-nitroanilino)-2-oxoethoxy]benzoate structure](/static/products/2074/20745-74-8.webp)
Methyl 5-chloro-2-[2-(3-nitroanilino)-2-oxoethoxy]benzoate
TL;DR: Methyl 5-chloro-2-[2-(3-nitroanilino)-2-oxoethoxy]benzoate (CAS 20745-74-8) is a chemical compound with molecular formula C16H13ClN2O6 and molecular weight 364.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-chloro-2-[2-(3-nitroanilino)-2-oxoethoxy]benzoate
Also Known As: methyl 5-chloro-2-[2-(3-nitroanilino)-2-oxoethoxy]benzoate, METHYL 5-CHLORO-2-[(3-NITROPHENYL)CARBAMOYLMETHOXY]BENZOATE
| Molecular Formula | C16H13ClN2O6 |
|---|---|
| Molecular Weight | 364.05 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 364.0462 |
| Heavy Atoms | 25 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 20745-74-8 |
|---|---|
| SMILES | COC(=O)C1=C(C=CC(=C1)Cl)OCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | FFJHLIHIQMHCOK-UHFFFAOYSA-N |
Product Overview
Methyl 5-chloro-2-[2-(3-nitroanilino)-2-oxoethoxy]benzoate (CAS 20745-74-8), with molecular formula C16H13ClN2O6 and molecular weight 364.05 g/mol. IUPAC: methyl 5-chloro-2-[2-(3-nitroanilino)-2-oxoethoxy]benzoate.
Chemical Property Profile of Methyl 5-chloro-2-[2-(3-nitroanilino)-2-oxoethoxy]benzoate
Property Insights of Methyl 5-chloro-2-[2-(3-nitroanilino)-2-oxoethoxy]benzoate
The XLogP value of 3.1 indicates that Methyl 5-chloro-2-[2-(3-nitroanilino)-2-oxoethoxy]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-chloro-2-[2-(3-nitroanilino)-2-oxoethoxy]benzoate. Following Lipinski's Rule of Five, Methyl 5-chloro-2-[2-(3-nitroanilino)-2-oxoethoxy]benzoate has 1 hydrogen bond donor(s) and 6 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 5-chloro-2-[2-(3-nitroanilino)-2-oxoethoxy]benzoate?
The CAS number of Methyl 5-chloro-2-[2-(3-nitroanilino)-2-oxoethoxy]benzoate is 20745-74-8.
What is the molecular formula of Methyl 5-chloro-2-[2-(3-nitroanilino)-2-oxoethoxy]benzoate?
The molecular formula of Methyl 5-chloro-2-[2-(3-nitroanilino)-2-oxoethoxy]benzoate is C16H13ClN2O6.
What is the molecular weight of Methyl 5-chloro-2-[2-(3-nitroanilino)-2-oxoethoxy]benzoate?
The molecular weight of Methyl 5-chloro-2-[2-(3-nitroanilino)-2-oxoethoxy]benzoate is 364.05 g/mol.
Where can I buy Methyl 5-chloro-2-[2-(3-nitroanilino)-2-oxoethoxy]benzoate?
You can request a quote for Methyl 5-chloro-2-[2-(3-nitroanilino)-2-oxoethoxy]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-chloro-2-[2-(3-nitroanilino)-2-oxoethoxy]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-chloro-2-[2-(3-nitroanilino)-2-oxoethoxy]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.