3-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-chlorophenyl)propanamide
TL;DR: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-chlorophenyl)propanamide (CAS 694487-00-8) is a chemical compound with molecular formula C16H13ClN2OS2 and molecular weight 348.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-chlorophenyl)propanamide
Also Known As: CBKinase1_004574, CBKinase1_016974, 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-chlorophenyl)propanamide, AP-853/42160695, BRD-K73919176-001-01-4
| Molecular Formula | C16H13ClN2OS2 |
|---|---|
| Molecular Weight | 348.02 g/mol |
| LogP | 5.0706 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.01578 |
| Heavy Atoms | 22 |
| Complexity | 770.44995 |
Chemical Identifiers
| CAS Number | 694487-00-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SCCC(=O)NC3=CC=CC=C3Cl |
Product Overview
3-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-chlorophenyl)propanamide (CAS 694487-00-8), with molecular formula C16H13ClN2OS2 and molecular weight 348.02 g/mol. IUPAC: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-chlorophenyl)propanamide.
Chemical Property Profile of 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-chlorophenyl)propanamide
Property Insights of 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-chlorophenyl)propanamide
The XLogP value of 5.0706 indicates that 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-chlorophenyl)propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.99 Ų, 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-chlorophenyl)propanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-chlorophenyl)propanamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-chlorophenyl)propanamide?
The CAS number of 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-chlorophenyl)propanamide is 694487-00-8.
What is the molecular formula of 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-chlorophenyl)propanamide?
The molecular formula of 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-chlorophenyl)propanamide is C16H13ClN2OS2.
What is the molecular weight of 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-chlorophenyl)propanamide?
The molecular weight of 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-chlorophenyl)propanamide is 348.02 g/mol.
Where can I buy 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-chlorophenyl)propanamide?
You can request a quote for 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-chlorophenyl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-chlorophenyl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-chlorophenyl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.