N,N-dichlorotaurine
TL;DR: N,N-dichlorotaurine (CAS 83152-69-6) is a chemical compound with molecular formula C2H5Cl2NO3S and molecular weight 192.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dichloroamino)ethanesulfonic acid
Also Known As: n,n-dichlorotaurine, 2-(dichloroamino)ethanesulfonic acid, Ethanesulfonic acid, 2-(dichloroamino)-, 2-(Dichloroamino)ethane-1-sulfonic acid, RefChem:926460
| Molecular Formula | C2H5Cl2NO3S |
|---|---|
| Molecular Weight | 192.94 g/mol |
| LogP | -2.5 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.93672 |
| Heavy Atoms | 9 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 83152-69-6 |
|---|---|
| SMILES | C(CS(=O)(=O)O)N(Cl)Cl |
| InChIKey | CNZIVXGNLPHOKV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N-dichlorotaurine (CAS 83152-69-6), with molecular formula C2H5Cl2NO3S and molecular weight 192.94 g/mol. IUPAC: 2-(dichloroamino)ethanesulfonic acid.
Chemical Property Profile of N,N-dichlorotaurine
Property Insights of N,N-dichlorotaurine
The XLogP value of -2.5 indicates that N,N-dichlorotaurine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-dichlorotaurine. Following Lipinski's Rule of Five, N,N-dichlorotaurine has 1 hydrogen bond donor(s) and 4 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 N,N-dichlorotaurine?
The CAS number of N,N-dichlorotaurine is 83152-69-6.
What is the molecular formula of N,N-dichlorotaurine?
The molecular formula of N,N-dichlorotaurine is C2H5Cl2NO3S.
What is the molecular weight of N,N-dichlorotaurine?
The molecular weight of N,N-dichlorotaurine is 192.94 g/mol.
Where can I buy N,N-dichlorotaurine?
You can request a quote for N,N-dichlorotaurine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-dichlorotaurine?
Yes, KEHONG BIO provides custom synthesis services for N,N-dichlorotaurine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.