1-Butyl 2-methyl 1,2-benzenedicarboxylate
TL;DR: 1-Butyl 2-methyl 1,2-benzenedicarboxylate (CAS 34006-76-3) is a chemical compound with molecular formula C13H16O4 and molecular weight 236.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-butyl 1-O-methyl benzene-1,2-dicarboxylate
Also Known As: BUTYL METHYL PHTHALATE, Methyl butyl phthalate, DMEP, Methyl-butyl-phthalat, Phthalic acid, butyl methyl ester
| Molecular Formula | C13H16O4 |
|---|---|
| Molecular Weight | 236.10 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 236.10486 |
| Heavy Atoms | 17 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 34006-76-3 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=CC=C1C(=O)OC |
| InChIKey | XXFSYINDUHLBIL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Butyl 2-methyl 1,2-benzenedicarboxylate (CAS 34006-76-3), with molecular formula C13H16O4 and molecular weight 236.10 g/mol. IUPAC: 2-O-butyl 1-O-methyl benzene-1,2-dicarboxylate.
Chemical Property Profile of 1-Butyl 2-methyl 1,2-benzenedicarboxylate
Property Insights of 1-Butyl 2-methyl 1,2-benzenedicarboxylate
The XLogP value of 3.5 indicates that 1-Butyl 2-methyl 1,2-benzenedicarboxylate 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-Butyl 2-methyl 1,2-benzenedicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butyl 2-methyl 1,2-benzenedicarboxylate 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-Butyl 2-methyl 1,2-benzenedicarboxylate?
The CAS number of 1-Butyl 2-methyl 1,2-benzenedicarboxylate is 34006-76-3.
What is the molecular formula of 1-Butyl 2-methyl 1,2-benzenedicarboxylate?
The molecular formula of 1-Butyl 2-methyl 1,2-benzenedicarboxylate is C13H16O4.
What is the molecular weight of 1-Butyl 2-methyl 1,2-benzenedicarboxylate?
The molecular weight of 1-Butyl 2-methyl 1,2-benzenedicarboxylate is 236.10 g/mol.
Where can I buy 1-Butyl 2-methyl 1,2-benzenedicarboxylate?
You can request a quote for 1-Butyl 2-methyl 1,2-benzenedicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butyl 2-methyl 1,2-benzenedicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1-Butyl 2-methyl 1,2-benzenedicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.