![N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-chloro-2-nitrobenzamide structure](/static/products/3133/313395-75-4.webp)
N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-chloro-2-nitrobenzamide
TL;DR: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-chloro-2-nitrobenzamide (CAS 313395-75-4) is a chemical compound with molecular formula C22H16ClN3O3S2 and molecular weight 469.03 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)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-chloro-2-nitrobenzamide
Also Known As: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-chloro-2-nitrobenzamide, F0328-0320, N-(3-(benzo[d]thiazol-2-yl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-5-chloro-2-nitrobenzamide, N-(3-benzothiazol-2-yl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-chloro-2-nitro-benzamide, N-[3-(1,3-benzothiazol-2-yl)-1-thia-4,5,6,7-tetrahydro-2-indenyl]5-chloro-2-nitrobenzamide
| Molecular Formula | C22H16ClN3O3S2 |
|---|---|
| Molecular Weight | 469.03 g/mol |
| LogP | 6.7175 |
| Topological Polar Surface Area | 85.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 469.03217 |
| Heavy Atoms | 31 |
| Complexity | 1312.2782 |
Chemical Identifiers
| CAS Number | 313395-75-4 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])C4=NC5=CC=CC=C5S4 |
Product Overview
N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-chloro-2-nitrobenzamide (CAS 313395-75-4), with molecular formula C22H16ClN3O3S2 and molecular weight 469.03 g/mol. IUPAC: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-chloro-2-nitrobenzamide.
Chemical Property Profile of N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-chloro-2-nitrobenzamide
Property Insights of N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-chloro-2-nitrobenzamide
The XLogP value of 6.7175 indicates that N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-chloro-2-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.13 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-chloro-2-nitrobenzamide. Following Lipinski's Rule of Five, N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-chloro-2-nitrobenzamide 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)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-chloro-2-nitrobenzamide?
The CAS number of N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-chloro-2-nitrobenzamide is 313395-75-4.
What is the molecular formula of N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-chloro-2-nitrobenzamide?
The molecular formula of N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-chloro-2-nitrobenzamide is C22H16ClN3O3S2.
What is the molecular weight of N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-chloro-2-nitrobenzamide?
The molecular weight of N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-chloro-2-nitrobenzamide is 469.03 g/mol.
Where can I buy N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-chloro-2-nitrobenzamide?
You can request a quote for N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-chloro-2-nitrobenzamide 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)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-chloro-2-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-chloro-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.