Benzothiazole, 6-nitro-2-(p-nitrobenzoylamino)-
TL;DR: Benzothiazole, 6-nitro-2-(p-nitrobenzoylamino)- (CAS 64036-74-4) is a chemical compound with molecular formula C14H8N4O5S and molecular weight 344.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
Also Known As: N- -4-nitrobenzamide, 2-(4-Nitrobenzoylamino)-6-nitrobenzothiazole, BAS 00398659, BENZOTHIAZOLE, 6-NITRO-2-(p-NITROBENZOYLAMINO)-, 4-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
| Molecular Formula | C14H8N4O5S |
|---|---|
| Molecular Weight | 344.02 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 344.02155 |
| Heavy Atoms | 24 |
| Complexity | 514.0 |
Chemical Identifiers
| CAS Number | 64036-74-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | YBBSIEMORQCPPR-UHFFFAOYSA-N |
Product Overview
Benzothiazole, 6-nitro-2-(p-nitrobenzoylamino)- (CAS 64036-74-4), with molecular formula C14H8N4O5S and molecular weight 344.02 g/mol. IUPAC: 4-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide.
Chemical Property Profile of Benzothiazole, 6-nitro-2-(p-nitrobenzoylamino)-
Property Insights of Benzothiazole, 6-nitro-2-(p-nitrobenzoylamino)-
The XLogP value of 3.2 indicates that Benzothiazole, 6-nitro-2-(p-nitrobenzoylamino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 162.0 Ų indicates high polarity, suggesting Benzothiazole, 6-nitro-2-(p-nitrobenzoylamino)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzothiazole, 6-nitro-2-(p-nitrobenzoylamino)- has 1 hydrogen bond donor(s) and 7 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 Benzothiazole, 6-nitro-2-(p-nitrobenzoylamino)-?
The CAS number of Benzothiazole, 6-nitro-2-(p-nitrobenzoylamino)- is 64036-74-4.
What is the molecular formula of Benzothiazole, 6-nitro-2-(p-nitrobenzoylamino)-?
The molecular formula of Benzothiazole, 6-nitro-2-(p-nitrobenzoylamino)- is C14H8N4O5S.
What is the molecular weight of Benzothiazole, 6-nitro-2-(p-nitrobenzoylamino)-?
The molecular weight of Benzothiazole, 6-nitro-2-(p-nitrobenzoylamino)- is 344.02 g/mol.
Where can I buy Benzothiazole, 6-nitro-2-(p-nitrobenzoylamino)-?
You can request a quote for Benzothiazole, 6-nitro-2-(p-nitrobenzoylamino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazole, 6-nitro-2-(p-nitrobenzoylamino)-?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazole, 6-nitro-2-(p-nitrobenzoylamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.