间苯二甲酸二丙酯
TL;DR: 间苯二甲酸二丙酯 (CAS 3143-06-4) is a chemical compound with molecular formula C14H18O4 and molecular weight 250.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
间苯二甲酸二丙酯
dipropyl benzene-1,3-dicarboxylate
Also Known As: Dipropyl isophthalate, Isophthalicaciddipropylester, ISOPHTHALIC ACID, DIPROPYL ESTER, Isophthalic acid dipropyl ester, dipropyl benzene-1,3-dicarboxylate
| Molecular Formula | C14H18O4 |
|---|---|
| Molecular Weight | 250.12 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 250.12051 |
| Heavy Atoms | 18 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 3143-06-4 |
|---|---|
| SMILES | CCCOC(=O)C1=CC(=CC=C1)C(=O)OCCC |
| InChIKey | FZNKCFJDFGDMKU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
间苯二甲酸二丙酯 (CAS 3143-06-4), with molecular formula C14H18O4 and molecular weight 250.12 g/mol. IUPAC: dipropyl benzene-1,3-dicarboxylate.
Chemical Property Profile of 间苯二甲酸二丙酯
Property Insights of 间苯二甲酸二丙酯
The XLogP value of 3.8 indicates that 间苯二甲酸二丙酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 间苯二甲酸二丙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 间苯二甲酸二丙酯 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 间苯二甲酸二丙酯?
The CAS number of 间苯二甲酸二丙酯 is 3143-06-4.
What is the molecular formula of 间苯二甲酸二丙酯?
The molecular formula of 间苯二甲酸二丙酯 is C14H18O4.
What is the molecular weight of 间苯二甲酸二丙酯?
The molecular weight of 间苯二甲酸二丙酯 is 250.12 g/mol.
Where can I buy 间苯二甲酸二丙酯?
You can request a quote for 间苯二甲酸二丙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 间苯二甲酸二丙酯?
Yes, KEHONG BIO provides custom synthesis services for 间苯二甲酸二丙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.