1,2-Benzenedicarboxylic acid, 1-(2-methylbutyl) 2-(phenylmethyl) ester
TL;DR: 1,2-Benzenedicarboxylic acid, 1-(2-methylbutyl) 2-(phenylmethyl) ester (CAS 71463-82-6) is a chemical compound with molecular formula C20H22O4 and molecular weight 326.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-benzyl 2-O-[(2R)-2-methylbutyl] benzene-1,2-dicarboxylate
Also Known As: 2-Methylbutyl benzyl phthalate, 1,2-Benzenedicarboxylic acid, 2-methylbutyl phenylmethyl ester, 1,2-Benzenedicarboxylic acid, 1-(2-methylbutyl) 2-(phenylmethyl) ester, 1-O-benzyl 2-O-[(2R)-2-methylbutyl] benzene-1,2-dicarboxylate, RefChem:411121
| Molecular Formula | C20H22O4 |
|---|---|
| Molecular Weight | 326.15 g/mol |
| LogP | 4.2465 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 326.1518 |
| Heavy Atoms | 24 |
| Complexity | 679.04803 |
Chemical Identifiers
| CAS Number | 71463-82-6 |
|---|---|
| SMILES | CC[C@@H](C)COC(=O)C1=CC=CC=C1C(=O)OCC2=CC=CC=C2 |
Product Overview
1,2-Benzenedicarboxylic acid, 1-(2-methylbutyl) 2-(phenylmethyl) ester (CAS 71463-82-6), with molecular formula C20H22O4 and molecular weight 326.15 g/mol. IUPAC: 1-O-benzyl 2-O-[(2R)-2-methylbutyl] benzene-1,2-dicarboxylate.
Chemical Property Profile of 1,2-Benzenedicarboxylic acid, 1-(2-methylbutyl) 2-(phenylmethyl) ester
Property Insights of 1,2-Benzenedicarboxylic acid, 1-(2-methylbutyl) 2-(phenylmethyl) ester
The XLogP value of 4.2465 indicates that 1,2-Benzenedicarboxylic acid, 1-(2-methylbutyl) 2-(phenylmethyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1,2-Benzenedicarboxylic acid, 1-(2-methylbutyl) 2-(phenylmethyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Benzenedicarboxylic acid, 1-(2-methylbutyl) 2-(phenylmethyl) ester has 0 hydrogen bond donor(s) and 4 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-Benzenedicarboxylic acid, 1-(2-methylbutyl) 2-(phenylmethyl) ester?
The CAS number of 1,2-Benzenedicarboxylic acid, 1-(2-methylbutyl) 2-(phenylmethyl) ester is 71463-82-6.
What is the molecular formula of 1,2-Benzenedicarboxylic acid, 1-(2-methylbutyl) 2-(phenylmethyl) ester?
The molecular formula of 1,2-Benzenedicarboxylic acid, 1-(2-methylbutyl) 2-(phenylmethyl) ester is C20H22O4.
What is the molecular weight of 1,2-Benzenedicarboxylic acid, 1-(2-methylbutyl) 2-(phenylmethyl) ester?
The molecular weight of 1,2-Benzenedicarboxylic acid, 1-(2-methylbutyl) 2-(phenylmethyl) ester is 326.15 g/mol.
Where can I buy 1,2-Benzenedicarboxylic acid, 1-(2-methylbutyl) 2-(phenylmethyl) ester?
You can request a quote for 1,2-Benzenedicarboxylic acid, 1-(2-methylbutyl) 2-(phenylmethyl) 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, 1-(2-methylbutyl) 2-(phenylmethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenedicarboxylic acid, 1-(2-methylbutyl) 2-(phenylmethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.