![N-{2-[(4-tert-butyl-2,6-dimethylbenzyl)sulfanyl]-1,3-benzothiazol-6-yl}propanamide structure](/static/products/346/346463-56-7.png)
N-{2-[(4-tert-butyl-2,6-dimethylbenzyl)sulfanyl]-1,3-benzothiazol-6-yl}propanamide
TL;DR: N-{2-[(4-tert-butyl-2,6-dimethylbenzyl)sulfanyl]-1,3-benzothiazol-6-yl}propanamide (CAS 346463-56-7) is a chemical compound with molecular formula C23H28N2OS2 and molecular weight 412.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]propanamide
Also Known As: N-{2-[(4-tert-butyl-2,6-dimethylbenzyl)sulfanyl]-1,3-benzothiazol-6-yl}propanamide, N-(2-((4-(tert-butyl)-2,6-dimethylbenzyl)thio)benzo[d]thiazol-6-yl)propionamide, N-[2-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]propanamide, N-(2-{[(4-TERT-BUTYL-2,6-DIMETHYLPHENYL)METHYL]SULFANYL}-1,3-BENZOTHIAZOL-6-YL)PROPANAMIDE
| Molecular Formula | C23H28N2OS2 |
|---|---|
| Molecular Weight | 412.16 g/mol |
| LogP | 6.85144 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.1643 |
| Heavy Atoms | 28 |
| Complexity | 992.0996 |
Chemical Identifiers
| CAS Number | 346463-56-7 |
|---|---|
| SMILES | CCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC3=C(C=C(C=C3C)C(C)(C)C)C |
Product Overview
N-{2-[(4-tert-butyl-2,6-dimethylbenzyl)sulfanyl]-1,3-benzothiazol-6-yl}propanamide (CAS 346463-56-7), with molecular formula C23H28N2OS2 and molecular weight 412.16 g/mol. IUPAC: N-[2-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]propanamide.
Chemical Property Profile of N-{2-[(4-tert-butyl-2,6-dimethylbenzyl)sulfanyl]-1,3-benzothiazol-6-yl}propanamide
Property Insights of N-{2-[(4-tert-butyl-2,6-dimethylbenzyl)sulfanyl]-1,3-benzothiazol-6-yl}propanamide
The XLogP value of 6.85144 indicates that N-{2-[(4-tert-butyl-2,6-dimethylbenzyl)sulfanyl]-1,3-benzothiazol-6-yl}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, N-{2-[(4-tert-butyl-2,6-dimethylbenzyl)sulfanyl]-1,3-benzothiazol-6-yl}propanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-{2-[(4-tert-butyl-2,6-dimethylbenzyl)sulfanyl]-1,3-benzothiazol-6-yl}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 N-{2-[(4-tert-butyl-2,6-dimethylbenzyl)sulfanyl]-1,3-benzothiazol-6-yl}propanamide?
The CAS number of N-{2-[(4-tert-butyl-2,6-dimethylbenzyl)sulfanyl]-1,3-benzothiazol-6-yl}propanamide is 346463-56-7.
What is the molecular formula of N-{2-[(4-tert-butyl-2,6-dimethylbenzyl)sulfanyl]-1,3-benzothiazol-6-yl}propanamide?
The molecular formula of N-{2-[(4-tert-butyl-2,6-dimethylbenzyl)sulfanyl]-1,3-benzothiazol-6-yl}propanamide is C23H28N2OS2.
What is the molecular weight of N-{2-[(4-tert-butyl-2,6-dimethylbenzyl)sulfanyl]-1,3-benzothiazol-6-yl}propanamide?
The molecular weight of N-{2-[(4-tert-butyl-2,6-dimethylbenzyl)sulfanyl]-1,3-benzothiazol-6-yl}propanamide is 412.16 g/mol.
Where can I buy N-{2-[(4-tert-butyl-2,6-dimethylbenzyl)sulfanyl]-1,3-benzothiazol-6-yl}propanamide?
You can request a quote for N-{2-[(4-tert-butyl-2,6-dimethylbenzyl)sulfanyl]-1,3-benzothiazol-6-yl}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-[(4-tert-butyl-2,6-dimethylbenzyl)sulfanyl]-1,3-benzothiazol-6-yl}propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-{2-[(4-tert-butyl-2,6-dimethylbenzyl)sulfanyl]-1,3-benzothiazol-6-yl}propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.