4-Chloro-1,1'-biphenyl
TL;DR: 4-Chloro-1,1'-biphenyl (CAS 193963-23-4) is a chemical compound with molecular formula C32H35BrN2O2S and molecular weight 590.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-Chloro-1,1'-biphenyl
3-[[3-bromo-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-6-ol
Also Known As: 1d3d, 4-Chloro-1,1'-biphenyl, J1.078.449B, 3-(3-bromo-4-pyrrolidin-1-ylmethyl-benzyl)-2-[4-pyrrolidin-1-yl-ethoxy)-phenyl]-benzo[b]thiophen-6-ol, BZT
| Molecular Formula | C32H35BrN2O2S |
|---|---|
| Molecular Weight | 590.16 g/mol |
| LogP | 7.7 |
| Topological Polar Surface Area | 64.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 590.1603 |
| Heavy Atoms | 38 |
| Complexity | 724.0 |
Chemical Identifiers
| CAS Number | 193963-23-4 |
|---|---|
| SMILES | C1CCN(C1)CCOC2=CC=C(C=C2)C3=C(C4=C(S3)C=C(C=C4)O)CC5=CC(=C(C=C5)CN6CCCC6)Br |
| InChIKey | QVDZMCVSIVITGR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-1,1'-biphenyl (CAS 193963-23-4), with molecular formula C32H35BrN2O2S and molecular weight 590.16 g/mol. IUPAC: 3-[[3-bromo-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-6-ol.
Chemical Property Profile of 4-Chloro-1,1'-biphenyl
Property Insights of 4-Chloro-1,1'-biphenyl
The XLogP value of 7.7 indicates that 1d3d is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-1,1'-biphenyl. Following Lipinski's Rule of Five, 1d3d has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1d3d?
The CAS number of 1d3d is 193963-23-4.
What is the molecular formula of 1d3d?
The molecular formula of 1d3d is C32H35BrN2O2S.
What is the molecular weight of 1d3d?
The molecular weight of 1d3d is 590.16 g/mol.
Where can I buy 1d3d?
You can request a quote for 1d3d directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1d3d?
Yes, KEHONG BIO provides custom synthesis services for 1d3d and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.