N-(1,3-benzothiazol-2-ylmethylideneamino)-2,4-dinitroaniline
TL;DR: N-(1,3-benzothiazol-2-ylmethylideneamino)-2,4-dinitroaniline (CAS 315237-92-4) is a chemical compound with molecular formula C14H9N5O4S and molecular weight 343.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzothiazol-2-ylmethylideneamino)-2,4-dinitroaniline
Also Known As: 1,3-benzothiazole-2-carbaldehyde {2,4-bisnitrophenyl}hydrazone, N-(1,3-benzothiazol-2-ylmethylideneamino)-2,4-dinitroaniline
| Molecular Formula | C14H9N5O4S |
|---|---|
| Molecular Weight | 343.04 g/mol |
| LogP | 3.5587 |
| Topological Polar Surface Area | 123.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 343.03754 |
| Heavy Atoms | 24 |
| Complexity | 935.7081 |
Chemical Identifiers
| CAS Number | 315237-92-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
N-(1,3-benzothiazol-2-ylmethylideneamino)-2,4-dinitroaniline (CAS 315237-92-4), with molecular formula C14H9N5O4S and molecular weight 343.04 g/mol. IUPAC: N-(1,3-benzothiazol-2-ylmethylideneamino)-2,4-dinitroaniline.
Chemical Property Profile of N-(1,3-benzothiazol-2-ylmethylideneamino)-2,4-dinitroaniline
Property Insights of N-(1,3-benzothiazol-2-ylmethylideneamino)-2,4-dinitroaniline
The XLogP value of 3.5587 indicates that N-(1,3-benzothiazol-2-ylmethylideneamino)-2,4-dinitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.56 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzothiazol-2-ylmethylideneamino)-2,4-dinitroaniline. Following Lipinski's Rule of Five, N-(1,3-benzothiazol-2-ylmethylideneamino)-2,4-dinitroaniline has 1 hydrogen bond donor(s) and 8 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-(1,3-benzothiazol-2-ylmethylideneamino)-2,4-dinitroaniline?
The CAS number of N-(1,3-benzothiazol-2-ylmethylideneamino)-2,4-dinitroaniline is 315237-92-4.
What is the molecular formula of N-(1,3-benzothiazol-2-ylmethylideneamino)-2,4-dinitroaniline?
The molecular formula of N-(1,3-benzothiazol-2-ylmethylideneamino)-2,4-dinitroaniline is C14H9N5O4S.
What is the molecular weight of N-(1,3-benzothiazol-2-ylmethylideneamino)-2,4-dinitroaniline?
The molecular weight of N-(1,3-benzothiazol-2-ylmethylideneamino)-2,4-dinitroaniline is 343.04 g/mol.
Where can I buy N-(1,3-benzothiazol-2-ylmethylideneamino)-2,4-dinitroaniline?
You can request a quote for N-(1,3-benzothiazol-2-ylmethylideneamino)-2,4-dinitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzothiazol-2-ylmethylideneamino)-2,4-dinitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzothiazol-2-ylmethylideneamino)-2,4-dinitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.