![N-[2-(4-chlorophenoxy)ethyl]-2-(methylsulfanyl)-1,3-benzothiazole-6-sulfonamide structure](/static/products/4426/442671-17-2.webp)
N-[2-(4-chlorophenoxy)ethyl]-2-(methylsulfanyl)-1,3-benzothiazole-6-sulfonamide
TL;DR: N-[2-(4-chlorophenoxy)ethyl]-2-(methylsulfanyl)-1,3-benzothiazole-6-sulfonamide (CAS 442671-17-2) is a chemical compound with molecular formula C16H15ClN2O3S3 and molecular weight 413.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(4-chlorophenoxy)ethyl]-2-methylsulfanyl-1,3-benzothiazole-6-sulfonamide
Also Known As: CBKinase1_010873, CBKinase1_023273, AO-080/42479974, N-[2-(4-chlorophenoxy)ethyl]-2-(methylsulfanyl)-1,3-benzothiazole-6-sulfonamide, BRD-K58711283-001-01-4
| Molecular Formula | C16H15ClN2O3S3 |
|---|---|
| Molecular Weight | 413.99 g/mol |
| LogP | 4.0289 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 413.99335 |
| Heavy Atoms | 25 |
| Complexity | 971.95856 |
Chemical Identifiers
| CAS Number | 442671-17-2 |
|---|---|
| SMILES | CSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NCCOC3=CC=C(C=C3)Cl |
Product Overview
N-[2-(4-chlorophenoxy)ethyl]-2-(methylsulfanyl)-1,3-benzothiazole-6-sulfonamide (CAS 442671-17-2), with molecular formula C16H15ClN2O3S3 and molecular weight 413.99 g/mol. IUPAC: N-[2-(4-chlorophenoxy)ethyl]-2-methylsulfanyl-1,3-benzothiazole-6-sulfonamide.
Chemical Property Profile of N-[2-(4-chlorophenoxy)ethyl]-2-(methylsulfanyl)-1,3-benzothiazole-6-sulfonamide
Property Insights of N-[2-(4-chlorophenoxy)ethyl]-2-(methylsulfanyl)-1,3-benzothiazole-6-sulfonamide
The XLogP value of 4.0289 indicates that N-[2-(4-chlorophenoxy)ethyl]-2-(methylsulfanyl)-1,3-benzothiazole-6-sulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-(4-chlorophenoxy)ethyl]-2-(methylsulfanyl)-1,3-benzothiazole-6-sulfonamide. Following Lipinski's Rule of Five, N-[2-(4-chlorophenoxy)ethyl]-2-(methylsulfanyl)-1,3-benzothiazole-6-sulfonamide has 1 hydrogen bond donor(s) and 6 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-[2-(4-chlorophenoxy)ethyl]-2-(methylsulfanyl)-1,3-benzothiazole-6-sulfonamide?
The CAS number of N-[2-(4-chlorophenoxy)ethyl]-2-(methylsulfanyl)-1,3-benzothiazole-6-sulfonamide is 442671-17-2.
What is the molecular formula of N-[2-(4-chlorophenoxy)ethyl]-2-(methylsulfanyl)-1,3-benzothiazole-6-sulfonamide?
The molecular formula of N-[2-(4-chlorophenoxy)ethyl]-2-(methylsulfanyl)-1,3-benzothiazole-6-sulfonamide is C16H15ClN2O3S3.
What is the molecular weight of N-[2-(4-chlorophenoxy)ethyl]-2-(methylsulfanyl)-1,3-benzothiazole-6-sulfonamide?
The molecular weight of N-[2-(4-chlorophenoxy)ethyl]-2-(methylsulfanyl)-1,3-benzothiazole-6-sulfonamide is 413.99 g/mol.
Where can I buy N-[2-(4-chlorophenoxy)ethyl]-2-(methylsulfanyl)-1,3-benzothiazole-6-sulfonamide?
You can request a quote for N-[2-(4-chlorophenoxy)ethyl]-2-(methylsulfanyl)-1,3-benzothiazole-6-sulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-(4-chlorophenoxy)ethyl]-2-(methylsulfanyl)-1,3-benzothiazole-6-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(4-chlorophenoxy)ethyl]-2-(methylsulfanyl)-1,3-benzothiazole-6-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.