N-(6-nitro-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
TL;DR: N-(6-nitro-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CAS 681166-87-0) is a chemical compound with molecular formula C18H15N3O3S and molecular weight 353.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-nitro-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
Also Known As: N-(6-nitro-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide, F0537-0033, N-(6-nitrobenzo[d]thiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
| Molecular Formula | C18H15N3O3S |
|---|---|
| Molecular Weight | 353.08 g/mol |
| LogP | 4.3356 |
| Topological Polar Surface Area | 85.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 353.0834 |
| Heavy Atoms | 25 |
| Complexity | 996.395 |
Chemical Identifiers
| CAS Number | 681166-87-0 |
|---|---|
| SMILES | C1CCC2=C(C1)C=CC(=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-] |
Product Overview
N-(6-nitro-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CAS 681166-87-0), with molecular formula C18H15N3O3S and molecular weight 353.08 g/mol. IUPAC: N-(6-nitro-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
Chemical Property Profile of N-(6-nitro-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
Property Insights of N-(6-nitro-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
The XLogP value of 4.3356 indicates that N-(6-nitro-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide 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-(6-nitro-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide. Following Lipinski's Rule of Five, N-(6-nitro-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide 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-(6-nitro-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The CAS number of N-(6-nitro-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is 681166-87-0.
What is the molecular formula of N-(6-nitro-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The molecular formula of N-(6-nitro-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is C18H15N3O3S.
What is the molecular weight of N-(6-nitro-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The molecular weight of N-(6-nitro-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is 353.08 g/mol.
Where can I buy N-(6-nitro-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
You can request a quote for N-(6-nitro-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(6-nitro-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(6-nitro-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.