3,6-二氯-2-硝基苯甲酸甲酯
TL;DR: 3,6-二氯-2-硝基苯甲酸甲酯 (CAS 40188-83-8) 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.
3,6-二氯-2-硝基苯甲酸甲酯
methyl 3,6-dichloro-2-nitrobenzoate
Also Known As: Methyl 3,6-dichloro-2-nitrobenzoate, Methyl 2,5dichloro6nitrobenzoate, Methyl 3,6dichloro2nitrobenzoate, Methyl 2,5-dichloro-6-nitrobenzoate, Benzoic acid, 3,6-dichloro-2-nitro-, methyl ester
| Molecular Formula | C8H5Cl2NO4 |
|---|---|
| Molecular Weight | 248.96 g/mol |
| LogP | 2.8 |
| 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 | 40188-83-8 |
|---|---|
| SMILES | COC(=O)C1=C(C=CC(=C1[N+](=O)[O-])Cl)Cl |
| InChIKey | QAWANAKJSLISKW-UHFFFAOYSA-N |
Product Overview
3,6-二氯-2-硝基苯甲酸甲酯 (CAS 40188-83-8), with molecular formula C8H5Cl2NO4 and molecular weight 248.96 g/mol. IUPAC: methyl 3,6-dichloro-2-nitrobenzoate.
Chemical Property Profile of 3,6-二氯-2-硝基苯甲酸甲酯
Property Insights of 3,6-二氯-2-硝基苯甲酸甲酯
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6-二氯-2-硝基苯甲酸甲酯. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,6-二氯-2-硝基苯甲酸甲酯. Following Lipinski's Rule of Five, 3,6-二氯-2-硝基苯甲酸甲酯 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 3,6-二氯-2-硝基苯甲酸甲酯?
The CAS number of 3,6-二氯-2-硝基苯甲酸甲酯 is 40188-83-8.
What is the molecular formula of 3,6-二氯-2-硝基苯甲酸甲酯?
The molecular formula of 3,6-二氯-2-硝基苯甲酸甲酯 is C8H5Cl2NO4.
What is the molecular weight of 3,6-二氯-2-硝基苯甲酸甲酯?
The molecular weight of 3,6-二氯-2-硝基苯甲酸甲酯 is 248.96 g/mol.
Where can I buy 3,6-二氯-2-硝基苯甲酸甲酯?
You can request a quote for 3,6-二氯-2-硝基苯甲酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-二氯-2-硝基苯甲酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 3,6-二氯-2-硝基苯甲酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.