1,2-Benzenedicarboxylic acid,bis(1-methylethenyl) ester
TL;DR: 1,2-Benzenedicarboxylic acid,bis(1-methylethenyl) ester (CAS 63147-39-7) is a chemical compound with molecular formula C19H36N4O8 and molecular weight 448.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-6-[5-[(5-amino-5-carboxypentyl)carbamoyloxy]pentoxycarbonylamino]hexanoic acid
Also Known As: 1,2-Benzenedicarboxylic acid,bis(1-methylethenyl) ester, 2-amino-6-[5-[(5-amino-5-carboxypentyl)carbamoyloxy]pentoxycarbonylamino]hexanoic acid, 2,22-Diamino-8,16-dioxo-9,15-dioxa-7,17-diazatricosane-1,23-dioic acid, 2-amino-6-[5-[(5-amino-5-carboxy-pentyl)carbamoyloxy]pentoxycarbonylamino]hexanoic acid, 2-amino-6-[5-[(5-amino-6-hydroxy-6-oxohexyl)carbamoyloxy]pentoxycarbonylamino]hexanoic acid
| Molecular Formula | C19H36N4O8 |
|---|---|
| Molecular Weight | 448.25 g/mol |
| LogP | -4.3 |
| Topological Polar Surface Area | 203.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 20 |
| Exact Mass | 448.25333 |
| Heavy Atoms | 31 |
| Complexity | 501.0 |
Chemical Identifiers
| CAS Number | 63147-39-7 |
|---|---|
| SMILES | C(CCOC(=O)NCCCCC(C(=O)O)N)CCOC(=O)NCCCCC(C(=O)O)N |
| InChIKey | HTOHQKOTKZIYLU-UHFFFAOYSA-N |
Product Overview
1,2-Benzenedicarboxylic acid,bis(1-methylethenyl) ester (CAS 63147-39-7), with molecular formula C19H36N4O8 and molecular weight 448.25 g/mol. IUPAC: 2-amino-6-[5-[(5-amino-5-carboxypentyl)carbamoyloxy]pentoxycarbonylamino]hexanoic acid.
Chemical Property Profile of 1,2-Benzenedicarboxylic acid,bis(1-methylethenyl) ester
Property Insights of 1,2-Benzenedicarboxylic acid,bis(1-methylethenyl) ester
The XLogP value of -4.3 indicates that 1,2-Benzenedicarboxylic acid,bis(1-methylethenyl) ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 203.0 Ų indicates high polarity, suggesting 1,2-Benzenedicarboxylic acid,bis(1-methylethenyl) ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,2-Benzenedicarboxylic acid,bis(1-methylethenyl) ester has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2-Benzenedicarboxylic acid,bis(1-methylethenyl) ester?
The CAS number of 1,2-Benzenedicarboxylic acid,bis(1-methylethenyl) ester is 63147-39-7.
What is the molecular formula of 1,2-Benzenedicarboxylic acid,bis(1-methylethenyl) ester?
The molecular formula of 1,2-Benzenedicarboxylic acid,bis(1-methylethenyl) ester is C19H36N4O8.
What is the molecular weight of 1,2-Benzenedicarboxylic acid,bis(1-methylethenyl) ester?
The molecular weight of 1,2-Benzenedicarboxylic acid,bis(1-methylethenyl) ester is 448.25 g/mol.
Where can I buy 1,2-Benzenedicarboxylic acid,bis(1-methylethenyl) ester?
You can request a quote for 1,2-Benzenedicarboxylic acid,bis(1-methylethenyl) 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,bis(1-methylethenyl) ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenedicarboxylic acid,bis(1-methylethenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.