1,4-Benzenedicarboxylic acid, compd. with 1,6-hexanediamine (1:1)
TL;DR: 1,4-Benzenedicarboxylic acid, compd. with 1,6-hexanediamine (1:1) (CAS 3160-86-9) is a chemical compound with molecular formula C14H22N2O4 and molecular weight 282.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexane-1,6-diamine;terephthalic acid
Also Known As: Hexamethylene diamine terephthalate, Hexamethylendiaminterephthalat, hexane-1,6-diamine; terephthalic acid, Terephthalic acid hexamethylenediamine salt (1:1), EC 700-230-8
| Molecular Formula | C14H22N2O4 |
|---|---|
| Molecular Weight | 282.16 g/mol |
| LogP | 1.55 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 282.15796 |
| Heavy Atoms | 20 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 3160-86-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)C(=O)O.C(CCCN)CCN |
| InChIKey | CSVBIURHUGXNCS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Benzenedicarboxylic acid, compd. with 1,6-hexanediamine (1:1) (CAS 3160-86-9), with molecular formula C14H22N2O4 and molecular weight 282.16 g/mol. IUPAC: hexane-1,6-diamine;terephthalic acid.
Chemical Property Profile of 1,4-Benzenedicarboxylic acid, compd. with 1,6-hexanediamine (1:1)
Property Insights of 1,4-Benzenedicarboxylic acid, compd. with 1,6-hexanediamine (1:1)
The XLogP value of 1.55 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Benzenedicarboxylic acid, compd. with 1,6-hexanediamine (1:1). The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Benzenedicarboxylic acid, compd. with 1,6-hexanediamine (1:1). Following Lipinski's Rule of Five, 1,4-Benzenedicarboxylic acid, compd. with 1,6-hexanediamine (1:1) has 4 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 1,4-Benzenedicarboxylic acid, compd. with 1,6-hexanediamine (1:1)?
The CAS number of 1,4-Benzenedicarboxylic acid, compd. with 1,6-hexanediamine (1:1) is 3160-86-9.
What is the molecular formula of 1,4-Benzenedicarboxylic acid, compd. with 1,6-hexanediamine (1:1)?
The molecular formula of 1,4-Benzenedicarboxylic acid, compd. with 1,6-hexanediamine (1:1) is C14H22N2O4.
What is the molecular weight of 1,4-Benzenedicarboxylic acid, compd. with 1,6-hexanediamine (1:1)?
The molecular weight of 1,4-Benzenedicarboxylic acid, compd. with 1,6-hexanediamine (1:1) is 282.16 g/mol.
Where can I buy 1,4-Benzenedicarboxylic acid, compd. with 1,6-hexanediamine (1:1)?
You can request a quote for 1,4-Benzenedicarboxylic acid, compd. with 1,6-hexanediamine (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Benzenedicarboxylic acid, compd. with 1,6-hexanediamine (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzenedicarboxylic acid, compd. with 1,6-hexanediamine (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.