4,4'-氧双(2-氯苯胺)
TL;DR: 4,4'-氧双(2-氯苯胺) (CAS 28434-86-8) is a chemical compound with molecular formula C12H10Cl2N2O and molecular weight 268.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4'-氧双(2-氯苯胺)
4-(4-amino-3-chlorophenoxy)-2-chloroaniline
Also Known As: 4,4'-Oxybis(2-chloroaniline), 3,3'-Dichloro-4,4'-diaminodiphenyl ether, Bis(4-amino-3-chlorophenyl) ether, Aniline, 4,4'-oxybis(2-chloro-, 4,4'-Oxybis(2-chlorobenzenamine)
| Molecular Formula | C12H10Cl2N2O |
|---|---|
| Molecular Weight | 268.02 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 61.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.01703 |
| Heavy Atoms | 17 |
| Complexity | 231.0 |
| Melting Point | 262 to 128.9 °C |
Chemical Identifiers
| CAS Number | 28434-86-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1OC2=CC(=C(C=C2)N)Cl)Cl)N |
| InChIKey | IVVWBIJMWBNKFV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4'-氧双(2-氯苯胺) (CAS 28434-86-8), with molecular formula C12H10Cl2N2O and molecular weight 268.02 g/mol. IUPAC: 4-(4-amino-3-chlorophenoxy)-2-chloroaniline.
Chemical Property Profile of 4,4'-氧双(2-氯苯胺)
Property Insights of 4,4'-氧双(2-氯苯胺)
The XLogP value of 3.3 indicates that 4,4'-氧双(2-氯苯胺) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-氧双(2-氯苯胺). Following Lipinski's Rule of Five, 4,4'-氧双(2-氯苯胺) has 2 hydrogen bond donor(s) and 3 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 4,4'-氧双(2-氯苯胺)?
The CAS number of 4,4'-氧双(2-氯苯胺) is 28434-86-8.
What is the molecular formula of 4,4'-氧双(2-氯苯胺)?
The molecular formula of 4,4'-氧双(2-氯苯胺) is C12H10Cl2N2O.
What is the molecular weight of 4,4'-氧双(2-氯苯胺)?
The molecular weight of 4,4'-氧双(2-氯苯胺) is 268.02 g/mol.
Where can I buy 4,4'-氧双(2-氯苯胺)?
You can request a quote for 4,4'-氧双(2-氯苯胺) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-氧双(2-氯苯胺)?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-氧双(2-氯苯胺) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.