N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,6-dimethoxybenzamide
TL;DR: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,6-dimethoxybenzamide (CAS 397277-21-3) is a chemical compound with molecular formula C25H24N2O3S2 and molecular weight 464.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,6-dimethoxybenzamide
Also Known As: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,6-dimethoxybenzamide, F0789-0021, N-(3-(benzo[d]thiazol-2-yl)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2,6-dimethoxybenzamide, N-(3-benzothiazol-2-yl-6-methyl(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))(2,6- dimethoxyphenyl)carboxamide, N-(3-benzothiazol-2-yl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2,6-dimethoxy-benzamide
| Molecular Formula | C25H24N2O3S2 |
|---|---|
| Molecular Weight | 464.12 g/mol |
| LogP | 6.4191 |
| Topological Polar Surface Area | 60.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 464.12283 |
| Heavy Atoms | 32 |
| Complexity | 1252.7607 |
Chemical Identifiers
| CAS Number | 397277-21-3 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C3=NC4=CC=CC=C4S3)NC(=O)C5=C(C=CC=C5OC)OC |
Product Overview
N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,6-dimethoxybenzamide (CAS 397277-21-3), with molecular formula C25H24N2O3S2 and molecular weight 464.12 g/mol. IUPAC: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,6-dimethoxybenzamide.
Chemical Property Profile of N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,6-dimethoxybenzamide
Property Insights of N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,6-dimethoxybenzamide
The XLogP value of 6.4191 indicates that N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,6-dimethoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.45 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,6-dimethoxybenzamide. Following Lipinski's Rule of Five, N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,6-dimethoxybenzamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,6-dimethoxybenzamide?
The CAS number of N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,6-dimethoxybenzamide is 397277-21-3.
What is the molecular formula of N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,6-dimethoxybenzamide?
The molecular formula of N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,6-dimethoxybenzamide is C25H24N2O3S2.
What is the molecular weight of N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,6-dimethoxybenzamide?
The molecular weight of N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,6-dimethoxybenzamide is 464.12 g/mol.
Where can I buy N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,6-dimethoxybenzamide?
You can request a quote for N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,6-dimethoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,6-dimethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,6-dimethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.