邻苯二甲酸双(4-氯苯基)酯
TL;DR: 邻苯二甲酸双(4-氯苯基)酯 (CAS 94149-28-7) is a chemical compound with molecular formula C20H12Cl2O4 and molecular weight 386.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
邻苯二甲酸双(4-氯苯基)酯
bis(4-chlorophenyl) benzene-1,2-dicarboxylate
Also Known As: bis(4-chlorophenyl) phthalate, Phthalic acid, di(4-chlorophenyl) ester, bis(4-chlorophenyl) benzene-1,2-dicarboxylate, AJ-797/40679431, RefChem:371555
| Molecular Formula | C20H12Cl2O4 |
|---|---|
| Molecular Weight | 386.01 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 386.01126 |
| Heavy Atoms | 26 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 94149-28-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)Cl)C(=O)OC3=CC=C(C=C3)Cl |
| InChIKey | JSMPAQWKJYNIKI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
邻苯二甲酸双(4-氯苯基)酯 (CAS 94149-28-7), with molecular formula C20H12Cl2O4 and molecular weight 386.01 g/mol. IUPAC: bis(4-chlorophenyl) benzene-1,2-dicarboxylate.
Chemical Property Profile of 邻苯二甲酸双(4-氯苯基)酯
Property Insights of 邻苯二甲酸双(4-氯苯基)酯
The XLogP value of 5.9 indicates that 邻苯二甲酸双(4-氯苯基)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, 邻苯二甲酸双(4-氯苯基)酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 邻苯二甲酸双(4-氯苯基)酯 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 邻苯二甲酸双(4-氯苯基)酯?
The CAS number of 邻苯二甲酸双(4-氯苯基)酯 is 94149-28-7.
What is the molecular formula of 邻苯二甲酸双(4-氯苯基)酯?
The molecular formula of 邻苯二甲酸双(4-氯苯基)酯 is C20H12Cl2O4.
What is the molecular weight of 邻苯二甲酸双(4-氯苯基)酯?
The molecular weight of 邻苯二甲酸双(4-氯苯基)酯 is 386.01 g/mol.
Where can I buy 邻苯二甲酸双(4-氯苯基)酯?
You can request a quote for 邻苯二甲酸双(4-氯苯基)酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 邻苯二甲酸双(4-氯苯基)酯?
Yes, KEHONG BIO provides custom synthesis services for 邻苯二甲酸双(4-氯苯基)酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.