3,3'-Dichlorobisphenol A
TL;DR: 3,3'-Dichlorobisphenol A (CAS 79-98-1) is a chemical compound with molecular formula C15H14Cl2O2 and molecular weight 296.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)propan-2-yl]phenol
Also Known As: 3,3'-Dichlorobisphenol A, 3,3'-Dichlorodian, Trichlorobisphenol A, 2,2-Bis(3-chloro-4-hydroxyphenyl)propane, 3,3/'-Dichlorodian
| Molecular Formula | C15H14Cl2O2 |
|---|---|
| Molecular Weight | 296.04 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.03708 |
| Heavy Atoms | 19 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 79-98-1 |
|---|---|
| SMILES | CC(C)(C1=CC(=C(C=C1)O)Cl)C2=CC(=C(C=C2)O)Cl |
| InChIKey | XBQRPFBBTWXIFI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3'-Dichlorobisphenol A (CAS 79-98-1), with molecular formula C15H14Cl2O2 and molecular weight 296.04 g/mol. IUPAC: 2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)propan-2-yl]phenol.
Chemical Property Profile of 3,3'-Dichlorobisphenol A
Property Insights of 3,3'-Dichlorobisphenol A
The XLogP value of 5.3 indicates that 3,3'-Dichlorobisphenol A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 3,3'-Dichlorobisphenol A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3'-Dichlorobisphenol A has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,3'-Dichlorobisphenol A?
The CAS number of 3,3'-Dichlorobisphenol A is 79-98-1.
What is the molecular formula of 3,3'-Dichlorobisphenol A?
The molecular formula of 3,3'-Dichlorobisphenol A is C15H14Cl2O2.
What is the molecular weight of 3,3'-Dichlorobisphenol A?
The molecular weight of 3,3'-Dichlorobisphenol A is 296.04 g/mol.
Where can I buy 3,3'-Dichlorobisphenol A?
You can request a quote for 3,3'-Dichlorobisphenol A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-Dichlorobisphenol A?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-Dichlorobisphenol A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.