Methyl 3,4-dichloro-5-nitrobenzoate
TL;DR: Methyl 3,4-dichloro-5-nitrobenzoate (CAS 63105-53-3) is a chemical compound with molecular formula C8H5Cl2NO4 and molecular weight 248.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,4-dichloro-5-nitrobenzoate
Also Known As: Methyl 3,4-dichloro-5-nitrobenzoate, Benzoic acid, 3,4-dichloro-5-nitro-, methyl ester, Methyl3,4-dichloro-5-nitrobenzoate, methyl 3,4-dichloro-5-nitro-benzoate, 3,4-Dichloro-5-nitrobenzoic acid methyl ester
| Molecular Formula | C8H5Cl2NO4 |
|---|---|
| Molecular Weight | 248.96 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.95956 |
| Heavy Atoms | 15 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 63105-53-3 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C(=C1)Cl)Cl)[N+](=O)[O-] |
| InChIKey | XHIKDBWLWFGQEC-UHFFFAOYSA-N |
Product Overview
Methyl 3,4-dichloro-5-nitrobenzoate (CAS 63105-53-3), with molecular formula C8H5Cl2NO4 and molecular weight 248.96 g/mol. IUPAC: methyl 3,4-dichloro-5-nitrobenzoate.
Chemical Property Profile of Methyl 3,4-dichloro-5-nitrobenzoate
Property Insights of Methyl 3,4-dichloro-5-nitrobenzoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3,4-dichloro-5-nitrobenzoate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3,4-dichloro-5-nitrobenzoate. Following Lipinski's Rule of Five, Methyl 3,4-dichloro-5-nitrobenzoate has 0 hydrogen bond donor(s) and 4 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 3,4-dichloro-5-nitrobenzoate?
The CAS number of Methyl 3,4-dichloro-5-nitrobenzoate is 63105-53-3.
What is the molecular formula of Methyl 3,4-dichloro-5-nitrobenzoate?
The molecular formula of Methyl 3,4-dichloro-5-nitrobenzoate is C8H5Cl2NO4.
What is the molecular weight of Methyl 3,4-dichloro-5-nitrobenzoate?
The molecular weight of Methyl 3,4-dichloro-5-nitrobenzoate is 248.96 g/mol.
Where can I buy Methyl 3,4-dichloro-5-nitrobenzoate?
You can request a quote for Methyl 3,4-dichloro-5-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3,4-dichloro-5-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3,4-dichloro-5-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.