Dabsyl chloride
TL;DR: Dabsyl chloride (CAS 56512-49-3) is a chemical compound with molecular formula C14H14ClN3O2S and molecular weight 323.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Dabsyl chloride
4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonyl chloride
Also Known As: Dabsyl chloride, Dabsylchloride, DABS-Cl, 4-Dimethylaminoazobenzene-4'-sulfonyl chloride, 4-(Dimethylamino)azobenzene-4'-sulfonyl chloride
| Molecular Formula | C14H14ClN3O2S |
|---|---|
| Molecular Weight | 323.05 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.04953 |
| Heavy Atoms | 21 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 56512-49-3 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)Cl |
| InChIKey | VTVWTPGLLAELLI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dabsyl chloride (CAS 56512-49-3), with molecular formula C14H14ClN3O2S and molecular weight 323.05 g/mol. IUPAC: 4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonyl chloride.
Chemical Property Profile of Dabsyl chloride
Property Insights of Dabsyl chloride
The XLogP value of 4.6 indicates that Dabsyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Dabsyl chloride. Following Lipinski's Rule of Five, Dabsyl chloride has 0 hydrogen bond donor(s) and 5 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 Dabsyl chloride?
The CAS number of Dabsyl chloride is 56512-49-3.
What is the molecular formula of Dabsyl chloride?
The molecular formula of Dabsyl chloride is C14H14ClN3O2S.
What is the molecular weight of Dabsyl chloride?
The molecular weight of Dabsyl chloride is 323.05 g/mol.
Where can I buy Dabsyl chloride?
You can request a quote for Dabsyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dabsyl chloride?
Yes, KEHONG BIO provides custom synthesis services for Dabsyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.