1,2-Benzenedicarboxylic acid, bis(1-methylheptyl) ester, (S-(R*,R*))-
TL;DR: 1,2-Benzenedicarboxylic acid, bis(1-methylheptyl) ester, (S-(R*,R*))- (CAS 64535-97-3) is a chemical compound with molecular formula C24H38O4 and molecular weight 390.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis[(2S)-octan-2-yl] benzene-1,2-dicarboxylate
Also Known As: Phthalate, d secondary octyl, Phthalate, D-secondary octyl, Phthalic acid, bis (1-methylheptyl) ester, Di-(2S)-octan-2-yl benzene-1,2-dicarboxylate, 1,2-Benzenedicarboxylic acid, bis(1-methylheptyl) ester, (S-(R*,R*))-
| Molecular Formula | C24H38O4 |
|---|---|
| Molecular Weight | 390.28 g/mol |
| LogP | 6.718 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 390.277 |
| Heavy Atoms | 28 |
| Complexity | 530.72284 |
Chemical Identifiers
| CAS Number | 64535-97-3 |
|---|---|
| SMILES | CCCCCC[C@H](C)OC(=O)C1=CC=CC=C1C(=O)O[C@@H](C)CCCCCC |
Product Overview
1,2-Benzenedicarboxylic acid, bis(1-methylheptyl) ester, (S-(R*,R*))- (CAS 64535-97-3), with molecular formula C24H38O4 and molecular weight 390.28 g/mol. IUPAC: bis[(2S)-octan-2-yl] benzene-1,2-dicarboxylate.
Chemical Property Profile of 1,2-Benzenedicarboxylic acid, bis(1-methylheptyl) ester, (S-(R*,R*))-
Property Insights of 1,2-Benzenedicarboxylic acid, bis(1-methylheptyl) ester, (S-(R*,R*))-
The XLogP value of 6.718 indicates that 1,2-Benzenedicarboxylic acid, bis(1-methylheptyl) ester, (S-(R*,R*))- 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, bis(1-methylheptyl) ester, (S-(R*,R*))- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Benzenedicarboxylic acid, bis(1-methylheptyl) ester, (S-(R*,R*))- has 0 hydrogen bond donor(s) and 4 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-methylheptyl) ester, (S-(R*,R*))-?
The CAS number of 1,2-Benzenedicarboxylic acid, bis(1-methylheptyl) ester, (S-(R*,R*))- is 64535-97-3.
What is the molecular formula of 1,2-Benzenedicarboxylic acid, bis(1-methylheptyl) ester, (S-(R*,R*))-?
The molecular formula of 1,2-Benzenedicarboxylic acid, bis(1-methylheptyl) ester, (S-(R*,R*))- is C24H38O4.
What is the molecular weight of 1,2-Benzenedicarboxylic acid, bis(1-methylheptyl) ester, (S-(R*,R*))-?
The molecular weight of 1,2-Benzenedicarboxylic acid, bis(1-methylheptyl) ester, (S-(R*,R*))- is 390.28 g/mol.
Where can I buy 1,2-Benzenedicarboxylic acid, bis(1-methylheptyl) ester, (S-(R*,R*))-?
You can request a quote for 1,2-Benzenedicarboxylic acid, bis(1-methylheptyl) ester, (S-(R*,R*))- 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-methylheptyl) ester, (S-(R*,R*))-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenedicarboxylic acid, bis(1-methylheptyl) ester, (S-(R*,R*))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.