![N-[2-(Dimethylcarbamoylmethylsulfanyl)benzothiazol-6-YL]-3-phenyl-propanamide structure](/static/products/535/535955-31-8.png)
N-[2-(Dimethylcarbamoylmethylsulfanyl)benzothiazol-6-YL]-3-phenyl-propanamide
TL;DR: N-[2-(Dimethylcarbamoylmethylsulfanyl)benzothiazol-6-YL]-3-phenyl-propanamide (CAS 535955-31-8) is a chemical compound with molecular formula C20H21N3O2S2 and molecular weight 399.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenylpropanamide
Also Known As: 4-Formylmonomethylaminoazobenzene, N-(2-{[2-(dimethylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylpropanamide, N-[2-(DIMETHYLCARBAMOYLMETHYLSULFANYL)BENZOTHIAZOL-6-YL]-3-PHENYL-PROPANAMIDE, N-[2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenylpropanamide, N-(2-((2-(dimethylamino)-2-oxoethyl)thio)benzo[d]thiazol-6-yl)-3-phenylpropanamide
| Molecular Formula | C20H21N3O2S2 |
|---|---|
| Molecular Weight | 399.11 g/mol |
| LogP | 4.0479 |
| Topological Polar Surface Area | 62.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 399.1075 |
| Heavy Atoms | 27 |
| Complexity | 938.80963 |
Chemical Identifiers
| CAS Number | 535955-31-8 |
|---|---|
| SMILES | CN(C)C(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCC3=CC=CC=C3 |
Product Overview
N-[2-(Dimethylcarbamoylmethylsulfanyl)benzothiazol-6-YL]-3-phenyl-propanamide (CAS 535955-31-8), with molecular formula C20H21N3O2S2 and molecular weight 399.11 g/mol. IUPAC: N-[2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenylpropanamide.
Chemical Property Profile of N-[2-(Dimethylcarbamoylmethylsulfanyl)benzothiazol-6-YL]-3-phenyl-propanamide
Property Insights of N-[2-(Dimethylcarbamoylmethylsulfanyl)benzothiazol-6-YL]-3-phenyl-propanamide
The XLogP value of 4.0479 indicates that N-[2-(Dimethylcarbamoylmethylsulfanyl)benzothiazol-6-YL]-3-phenyl-propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-(Dimethylcarbamoylmethylsulfanyl)benzothiazol-6-YL]-3-phenyl-propanamide. Following Lipinski's Rule of Five, N-[2-(Dimethylcarbamoylmethylsulfanyl)benzothiazol-6-YL]-3-phenyl-propanamide has 1 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 N-[2-(Dimethylcarbamoylmethylsulfanyl)benzothiazol-6-YL]-3-phenyl-propanamide?
The CAS number of N-[2-(Dimethylcarbamoylmethylsulfanyl)benzothiazol-6-YL]-3-phenyl-propanamide is 535955-31-8.
What is the molecular formula of N-[2-(Dimethylcarbamoylmethylsulfanyl)benzothiazol-6-YL]-3-phenyl-propanamide?
The molecular formula of N-[2-(Dimethylcarbamoylmethylsulfanyl)benzothiazol-6-YL]-3-phenyl-propanamide is C20H21N3O2S2.
What is the molecular weight of N-[2-(Dimethylcarbamoylmethylsulfanyl)benzothiazol-6-YL]-3-phenyl-propanamide?
The molecular weight of N-[2-(Dimethylcarbamoylmethylsulfanyl)benzothiazol-6-YL]-3-phenyl-propanamide is 399.11 g/mol.
Where can I buy N-[2-(Dimethylcarbamoylmethylsulfanyl)benzothiazol-6-YL]-3-phenyl-propanamide?
You can request a quote for N-[2-(Dimethylcarbamoylmethylsulfanyl)benzothiazol-6-YL]-3-phenyl-propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-(Dimethylcarbamoylmethylsulfanyl)benzothiazol-6-YL]-3-phenyl-propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(Dimethylcarbamoylmethylsulfanyl)benzothiazol-6-YL]-3-phenyl-propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.