3-nitro-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
TL;DR: 3-nitro-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide (CAS 868368-99-4) is a chemical compound with molecular formula C17H15N3O3S and molecular weight 341.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
Also Known As: F1814-0125, 3-nitro-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide, 3-nitro-N-[(2Z)-3,4,7-trimethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]benzamide, (Z)-3-nitro-N-(3,4,7-trimethylbenzo[d]thiazol-2(3H)-ylidene)benzamide
| Molecular Formula | C17H15N3O3S |
|---|---|
| Molecular Weight | 341.08 g/mol |
| LogP | 3.50594 |
| Topological Polar Surface Area | 77.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 341.0834 |
| Heavy Atoms | 24 |
| Complexity | 1046.9056 |
Chemical Identifiers
| CAS Number | 868368-99-4 |
|---|---|
| SMILES | CC1=C2C(=C(C=C1)C)SC(=NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])N2C |
Product Overview
3-nitro-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide (CAS 868368-99-4), with molecular formula C17H15N3O3S and molecular weight 341.08 g/mol. IUPAC: 3-nitro-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide.
Chemical Property Profile of 3-nitro-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
Property Insights of 3-nitro-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
The XLogP value of 3.50594 indicates that 3-nitro-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-nitro-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide. Following Lipinski's Rule of Five, 3-nitro-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide has 0 hydrogen bond donor(s) and 4 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 3-nitro-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The CAS number of 3-nitro-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide is 868368-99-4.
What is the molecular formula of 3-nitro-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The molecular formula of 3-nitro-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide is C17H15N3O3S.
What is the molecular weight of 3-nitro-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The molecular weight of 3-nitro-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide is 341.08 g/mol.
Where can I buy 3-nitro-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
You can request a quote for 3-nitro-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-nitro-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-nitro-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.