1,2-Benzenedicarboxylic acid, 4-nitro-, 1,2-dimethyl ester
TL;DR: 1,2-Benzenedicarboxylic acid, 4-nitro-, 1,2-dimethyl ester (CAS 610-22-0) is a chemical compound with molecular formula C10H9NO6 and molecular weight 239.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 4-nitrobenzene-1,2-dicarboxylate
Also Known As: Dimethyl 4-nitrophthalate, Dimethyl4-nitrophthalate, 4-nitrophthalic acid dimethyl ester, Dimethyl-4-nitrophthalate, 1,2-Dimethyl 4-nitrophthalate
| Molecular Formula | C10H9NO6 |
|---|---|
| Molecular Weight | 239.04 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 98.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.04298 |
| Heavy Atoms | 17 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 610-22-0 |
|---|---|
| SMILES | COC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OC |
| InChIKey | XWBDWELWBUWSNI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Benzenedicarboxylic acid, 4-nitro-, 1,2-dimethyl ester (CAS 610-22-0), with molecular formula C10H9NO6 and molecular weight 239.04 g/mol. IUPAC: dimethyl 4-nitrobenzene-1,2-dicarboxylate.
Chemical Property Profile of 1,2-Benzenedicarboxylic acid, 4-nitro-, 1,2-dimethyl ester
Property Insights of 1,2-Benzenedicarboxylic acid, 4-nitro-, 1,2-dimethyl ester
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzenedicarboxylic acid, 4-nitro-, 1,2-dimethyl ester. The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzenedicarboxylic acid, 4-nitro-, 1,2-dimethyl ester. Following Lipinski's Rule of Five, 1,2-Benzenedicarboxylic acid, 4-nitro-, 1,2-dimethyl ester has 0 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 1,2-Benzenedicarboxylic acid, 4-nitro-, 1,2-dimethyl ester?
The CAS number of 1,2-Benzenedicarboxylic acid, 4-nitro-, 1,2-dimethyl ester is 610-22-0.
What is the molecular formula of 1,2-Benzenedicarboxylic acid, 4-nitro-, 1,2-dimethyl ester?
The molecular formula of 1,2-Benzenedicarboxylic acid, 4-nitro-, 1,2-dimethyl ester is C10H9NO6.
What is the molecular weight of 1,2-Benzenedicarboxylic acid, 4-nitro-, 1,2-dimethyl ester?
The molecular weight of 1,2-Benzenedicarboxylic acid, 4-nitro-, 1,2-dimethyl ester is 239.04 g/mol.
Where can I buy 1,2-Benzenedicarboxylic acid, 4-nitro-, 1,2-dimethyl ester?
You can request a quote for 1,2-Benzenedicarboxylic acid, 4-nitro-, 1,2-dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzenedicarboxylic acid, 4-nitro-, 1,2-dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenedicarboxylic acid, 4-nitro-, 1,2-dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.