1,2-Benzenedicarboxylicacid, 1-(2-(carboxymethyl)-5-oxohexyl) ester
TL;DR: 1,2-Benzenedicarboxylicacid, 1-(2-(carboxymethyl)-5-oxohexyl) ester (CAS 88144-81-4) is a chemical compound with molecular formula C16H18O7 and molecular weight 322.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(carboxymethyl)-5-oxohexoxy]carbonylbenzoic acid
Also Known As: 1,2-Benzenedicarboxylicacid, 1-(2-(carboxymethyl)-5-oxohexyl) ester, 2-[2-(carboxymethyl)-5-oxohexoxy]carbonylbenzoic acid, 3-[(2-carboxybenzoyl)oxymethyl]-6-oxo-heptanoic Acid, 2-({[2-(Carboxymethyl)-5-oxohexyl]oxy}carbonyl)benzoic acid, 1,2-Benzenedicarboxylicacid, 1-[2-(carboxymethyl)-5-oxohexyl] ester
| Molecular Formula | C16H18O7 |
|---|---|
| Molecular Weight | 322.11 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 322.10526 |
| Heavy Atoms | 23 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 88144-81-4 |
|---|---|
| SMILES | CC(=O)CCC(CC(=O)O)COC(=O)C1=CC=CC=C1C(=O)O |
| InChIKey | FMUGCWAAFQYYKY-UHFFFAOYSA-N |
Product Overview
1,2-Benzenedicarboxylicacid, 1-(2-(carboxymethyl)-5-oxohexyl) ester (CAS 88144-81-4), with molecular formula C16H18O7 and molecular weight 322.11 g/mol. IUPAC: 2-[2-(carboxymethyl)-5-oxohexoxy]carbonylbenzoic acid.
Chemical Property Profile of 1,2-Benzenedicarboxylicacid, 1-(2-(carboxymethyl)-5-oxohexyl) ester
Property Insights of 1,2-Benzenedicarboxylicacid, 1-(2-(carboxymethyl)-5-oxohexyl) ester
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzenedicarboxylicacid, 1-(2-(carboxymethyl)-5-oxohexyl) ester. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzenedicarboxylicacid, 1-(2-(carboxymethyl)-5-oxohexyl) ester. Following Lipinski's Rule of Five, 1,2-Benzenedicarboxylicacid, 1-(2-(carboxymethyl)-5-oxohexyl) ester has 2 hydrogen bond donor(s) and 7 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-Benzenedicarboxylicacid, 1-(2-(carboxymethyl)-5-oxohexyl) ester?
The CAS number of 1,2-Benzenedicarboxylicacid, 1-(2-(carboxymethyl)-5-oxohexyl) ester is 88144-81-4.
What is the molecular formula of 1,2-Benzenedicarboxylicacid, 1-(2-(carboxymethyl)-5-oxohexyl) ester?
The molecular formula of 1,2-Benzenedicarboxylicacid, 1-(2-(carboxymethyl)-5-oxohexyl) ester is C16H18O7.
What is the molecular weight of 1,2-Benzenedicarboxylicacid, 1-(2-(carboxymethyl)-5-oxohexyl) ester?
The molecular weight of 1,2-Benzenedicarboxylicacid, 1-(2-(carboxymethyl)-5-oxohexyl) ester is 322.11 g/mol.
Where can I buy 1,2-Benzenedicarboxylicacid, 1-(2-(carboxymethyl)-5-oxohexyl) ester?
You can request a quote for 1,2-Benzenedicarboxylicacid, 1-(2-(carboxymethyl)-5-oxohexyl) 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-Benzenedicarboxylicacid, 1-(2-(carboxymethyl)-5-oxohexyl) ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenedicarboxylicacid, 1-(2-(carboxymethyl)-5-oxohexyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.