1,3-Benzenedicarboxylic acid, 5-nitro-, 1,3-bis(2-hydroxyethyl) ester
TL;DR: 1,3-Benzenedicarboxylic acid, 5-nitro-, 1,3-bis(2-hydroxyethyl) ester (CAS 7259-89-4) is a chemical compound with molecular formula C12H13NO8 and molecular weight 299.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-hydroxyethyl) 5-nitrobenzene-1,3-dicarboxylate
Also Known As: bis 5-nitroisophthalate, Bis(2-hydroxyethyl) 5-nitroisophthalate, Potassium 1,3-dimethyl 5-sulfoisophthalate, 5-Nitroisophthalic acid, bis(2-hydroxyethyl) ester, bis(2-hydroxyethyl) 5-nitrobenzene-1,3-dicarboxylate
| Molecular Formula | C12H13NO8 |
|---|---|
| Molecular Weight | 299.06 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 299.06412 |
| Heavy Atoms | 21 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 7259-89-4 |
|---|---|
| SMILES | C1=C(C=C(C=C1C(=O)OCCO)[N+](=O)[O-])C(=O)OCCO |
| InChIKey | DVVHFUKYLNIPIH-UHFFFAOYSA-N |
Product Overview
1,3-Benzenedicarboxylic acid, 5-nitro-, 1,3-bis(2-hydroxyethyl) ester (CAS 7259-89-4), with molecular formula C12H13NO8 and molecular weight 299.06 g/mol. IUPAC: bis(2-hydroxyethyl) 5-nitrobenzene-1,3-dicarboxylate.
Chemical Property Profile of 1,3-Benzenedicarboxylic acid, 5-nitro-, 1,3-bis(2-hydroxyethyl) ester
Property Insights of 1,3-Benzenedicarboxylic acid, 5-nitro-, 1,3-bis(2-hydroxyethyl) ester
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzenedicarboxylic acid, 5-nitro-, 1,3-bis(2-hydroxyethyl) ester. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzenedicarboxylic acid, 5-nitro-, 1,3-bis(2-hydroxyethyl) ester. Following Lipinski's Rule of Five, 1,3-Benzenedicarboxylic acid, 5-nitro-, 1,3-bis(2-hydroxyethyl) ester has 2 hydrogen bond donor(s) and 8 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 1,3-Benzenedicarboxylic acid, 5-nitro-, 1,3-bis(2-hydroxyethyl) ester?
The CAS number of 1,3-Benzenedicarboxylic acid, 5-nitro-, 1,3-bis(2-hydroxyethyl) ester is 7259-89-4.
What is the molecular formula of 1,3-Benzenedicarboxylic acid, 5-nitro-, 1,3-bis(2-hydroxyethyl) ester?
The molecular formula of 1,3-Benzenedicarboxylic acid, 5-nitro-, 1,3-bis(2-hydroxyethyl) ester is C12H13NO8.
What is the molecular weight of 1,3-Benzenedicarboxylic acid, 5-nitro-, 1,3-bis(2-hydroxyethyl) ester?
The molecular weight of 1,3-Benzenedicarboxylic acid, 5-nitro-, 1,3-bis(2-hydroxyethyl) ester is 299.06 g/mol.
Where can I buy 1,3-Benzenedicarboxylic acid, 5-nitro-, 1,3-bis(2-hydroxyethyl) ester?
You can request a quote for 1,3-Benzenedicarboxylic acid, 5-nitro-, 1,3-bis(2-hydroxyethyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzenedicarboxylic acid, 5-nitro-, 1,3-bis(2-hydroxyethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenedicarboxylic acid, 5-nitro-, 1,3-bis(2-hydroxyethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.