1,3-Benzenedicarboxylic acid, compd. with N-methylmethanamine (1:1)
TL;DR: 1,3-Benzenedicarboxylic acid, compd. with N-methylmethanamine (1:1) (CAS 16971-82-7) is a chemical compound with molecular formula C10H13NO4 and molecular weight 211.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzene-1,3-dicarboxylic acid;N-methylmethanamine
Also Known As: Dimethylammonium hydrogen isophthalate, 1,3-Benzenedicarboxylic acid, compd. with N-methylmethanamine (1:1), benzene-1,3-dicarboxylic acid; N-methylmethanamine, Isophthalic acid, compound with dimethylamine (1:1), benzene-1,3-dicarboxylic acid,N-methylmethanamine
| Molecular Formula | C10H13NO4 |
|---|---|
| Molecular Weight | 211.08 g/mol |
| LogP | 0.9186 |
| Topological Polar Surface Area | 86.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.08446 |
| Heavy Atoms | 15 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 16971-82-7 |
|---|---|
| SMILES | CNC.C1=CC(=CC(=C1)C(=O)O)C(=O)O |
| InChIKey | PSXFWDBXOBHGSA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Benzenedicarboxylic acid, compd. with N-methylmethanamine (1:1) (CAS 16971-82-7), with molecular formula C10H13NO4 and molecular weight 211.08 g/mol. IUPAC: benzene-1,3-dicarboxylic acid;N-methylmethanamine.
Chemical Property Profile of 1,3-Benzenedicarboxylic acid, compd. with N-methylmethanamine (1:1)
Property Insights of 1,3-Benzenedicarboxylic acid, compd. with N-methylmethanamine (1:1)
The XLogP value of 0.9186 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzenedicarboxylic acid, compd. with N-methylmethanamine (1:1). The TPSA of 86.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzenedicarboxylic acid, compd. with N-methylmethanamine (1:1). Following Lipinski's Rule of Five, 1,3-Benzenedicarboxylic acid, compd. with N-methylmethanamine (1:1) has 3 hydrogen bond donor(s) and 5 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, compd. with N-methylmethanamine (1:1)?
The CAS number of 1,3-Benzenedicarboxylic acid, compd. with N-methylmethanamine (1:1) is 16971-82-7.
What is the molecular formula of 1,3-Benzenedicarboxylic acid, compd. with N-methylmethanamine (1:1)?
The molecular formula of 1,3-Benzenedicarboxylic acid, compd. with N-methylmethanamine (1:1) is C10H13NO4.
What is the molecular weight of 1,3-Benzenedicarboxylic acid, compd. with N-methylmethanamine (1:1)?
The molecular weight of 1,3-Benzenedicarboxylic acid, compd. with N-methylmethanamine (1:1) is 211.08 g/mol.
Where can I buy 1,3-Benzenedicarboxylic acid, compd. with N-methylmethanamine (1:1)?
You can request a quote for 1,3-Benzenedicarboxylic acid, compd. with N-methylmethanamine (1:1) 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, compd. with N-methylmethanamine (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenedicarboxylic acid, compd. with N-methylmethanamine (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.