Dimethyl benzene-1,3-dicarboxylate--2,2,4-trimethylpentane-1,3-diol (1/1)
TL;DR: Dimethyl benzene-1,3-dicarboxylate--2,2,4-trimethylpentane-1,3-diol (1/1) (CAS 65072-12-0) is a chemical compound with molecular formula C18H28O6 and molecular weight 340.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl benzene-1,3-dicarboxylate;2,2,4-trimethylpentane-1,3-diol
Also Known As: (C10-H10-O4.C8-H18-O2)x-, Dimethyl isophthalate, 2,2,4-trimethyl-1,3-pentanediol polymer, 1,3-Benzenedicarboxylic acid, dimethyl ester, polymer with 2,2,4-trimethyl-1,3-pentanediol, 1,3-Benzenedicarboxylic acid, 1,3-dimethyl ester, polymer with 2,2,4-trimethyl-1,3-pentanediol, dimethyl benzene-1,3-dicarboxylate; 2,2,4-trimethylpentane-1,3-diol
| Molecular Formula | C18H28O6 |
|---|---|
| Molecular Weight | 340.19 g/mol |
| LogP | 2.2816 |
| Topological Polar Surface Area | 93.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 340.1886 |
| Heavy Atoms | 24 |
| Complexity | 504.81546 |
Chemical Identifiers
| CAS Number | 65072-12-0 |
|---|---|
| SMILES | CC(C)C(C(C)(C)CO)O.COC(=O)C1=CC(=CC=C1)C(=O)OC |
Product Overview
Dimethyl benzene-1,3-dicarboxylate--2,2,4-trimethylpentane-1,3-diol (1/1) (CAS 65072-12-0), with molecular formula C18H28O6 and molecular weight 340.19 g/mol. IUPAC: dimethyl benzene-1,3-dicarboxylate;2,2,4-trimethylpentane-1,3-diol.
Chemical Property Profile of Dimethyl benzene-1,3-dicarboxylate--2,2,4-trimethylpentane-1,3-diol (1/1)
Property Insights of Dimethyl benzene-1,3-dicarboxylate--2,2,4-trimethylpentane-1,3-diol (1/1)
The XLogP value of 2.2816 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl benzene-1,3-dicarboxylate--2,2,4-trimethylpentane-1,3-diol (1/1). The TPSA of 93.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl benzene-1,3-dicarboxylate--2,2,4-trimethylpentane-1,3-diol (1/1). Following Lipinski's Rule of Five, Dimethyl benzene-1,3-dicarboxylate--2,2,4-trimethylpentane-1,3-diol (1/1) has 2 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 Dimethyl benzene-1,3-dicarboxylate--2,2,4-trimethylpentane-1,3-diol (1/1)?
The CAS number of Dimethyl benzene-1,3-dicarboxylate--2,2,4-trimethylpentane-1,3-diol (1/1) is 65072-12-0.
What is the molecular formula of Dimethyl benzene-1,3-dicarboxylate--2,2,4-trimethylpentane-1,3-diol (1/1)?
The molecular formula of Dimethyl benzene-1,3-dicarboxylate--2,2,4-trimethylpentane-1,3-diol (1/1) is C18H28O6.
What is the molecular weight of Dimethyl benzene-1,3-dicarboxylate--2,2,4-trimethylpentane-1,3-diol (1/1)?
The molecular weight of Dimethyl benzene-1,3-dicarboxylate--2,2,4-trimethylpentane-1,3-diol (1/1) is 340.19 g/mol.
Where can I buy Dimethyl benzene-1,3-dicarboxylate--2,2,4-trimethylpentane-1,3-diol (1/1)?
You can request a quote for Dimethyl benzene-1,3-dicarboxylate--2,2,4-trimethylpentane-1,3-diol (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl benzene-1,3-dicarboxylate--2,2,4-trimethylpentane-1,3-diol (1/1)?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl benzene-1,3-dicarboxylate--2,2,4-trimethylpentane-1,3-diol (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.