3-chloro-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide
TL;DR: 3-chloro-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide (CAS 313395-90-3) is a chemical compound with molecular formula C17H10ClN3O4S2 and molecular weight 418.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide
Also Known As: 3-chloro-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide, F0359-0167, 3-chloro-N-(4-methoxy-6-nitrobenzo[d]thiazol-2-yl)benzo[b]thiophene-2-carboxamide, 3-chloro-N-(4-methoxy-6-nitro-benzothiazol-2-yl)benzothiophene-2-carboxamide
| Molecular Formula | C17H10ClN3O4S2 |
|---|---|
| Molecular Weight | 418.98 g/mol |
| LogP | 5.3335 |
| Topological Polar Surface Area | 94.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.98013 |
| Heavy Atoms | 27 |
| Complexity | 1217.8105 |
Chemical Identifiers
| CAS Number | 313395-90-3 |
|---|---|
| SMILES | COC1=C2C(=CC(=C1)[N+](=O)[O-])SC(=N2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl |
Product Overview
3-chloro-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide (CAS 313395-90-3), with molecular formula C17H10ClN3O4S2 and molecular weight 418.98 g/mol. IUPAC: 3-chloro-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide.
Chemical Property Profile of 3-chloro-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide
Property Insights of 3-chloro-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide
The XLogP value of 5.3335 indicates that 3-chloro-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-chloro-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide. Following Lipinski's Rule of Five, 3-chloro-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-chloro-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide?
The CAS number of 3-chloro-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide is 313395-90-3.
What is the molecular formula of 3-chloro-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide?
The molecular formula of 3-chloro-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide is C17H10ClN3O4S2.
What is the molecular weight of 3-chloro-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide?
The molecular weight of 3-chloro-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide is 418.98 g/mol.
Where can I buy 3-chloro-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide?
You can request a quote for 3-chloro-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.