3-Nitro-4-methoxybenzaldehyde 1,3-benzothiazol-2-ylhydrazone
TL;DR: 3-Nitro-4-methoxybenzaldehyde 1,3-benzothiazol-2-ylhydrazone (CAS 292029-67-5) is a chemical compound with molecular formula C15H12N4O3S and molecular weight 328.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-1,3-benzothiazol-2-amine
Also Known As: BAS 01198087, 3-nitro-4-methoxybenzaldehyde 1,3-benzothiazol-2-ylhydrazone, N-Benzothiazol-2-yl-N'-(4-methoxy-3-nitro-benzylidene)-hydrazine, [(1E)-2-(4-methoxy-3-nitrophenyl)-1-azavinyl]benzothiazol-2-ylamine, 2-[(2E)-2-(4-methoxy-3-nitrobenzylidene)hydrazinyl]-1,3-benzothiazole
| Molecular Formula | C15H12N4O3S |
|---|---|
| Molecular Weight | 328.06 g/mol |
| LogP | 3.6591 |
| Topological Polar Surface Area | 89.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 328.06302 |
| Heavy Atoms | 23 |
| Complexity | 858.31433 |
Chemical Identifiers
| CAS Number | 292029-67-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=N/NC2=NC3=CC=CC=C3S2)[N+](=O)[O-] |
Product Overview
3-Nitro-4-methoxybenzaldehyde 1,3-benzothiazol-2-ylhydrazone (CAS 292029-67-5), with molecular formula C15H12N4O3S and molecular weight 328.06 g/mol. IUPAC: N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-1,3-benzothiazol-2-amine.
Chemical Property Profile of 3-Nitro-4-methoxybenzaldehyde 1,3-benzothiazol-2-ylhydrazone
Property Insights of 3-Nitro-4-methoxybenzaldehyde 1,3-benzothiazol-2-ylhydrazone
The XLogP value of 3.6591 indicates that 3-Nitro-4-methoxybenzaldehyde 1,3-benzothiazol-2-ylhydrazone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitro-4-methoxybenzaldehyde 1,3-benzothiazol-2-ylhydrazone. Following Lipinski's Rule of Five, 3-Nitro-4-methoxybenzaldehyde 1,3-benzothiazol-2-ylhydrazone 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 3-Nitro-4-methoxybenzaldehyde 1,3-benzothiazol-2-ylhydrazone?
The CAS number of 3-Nitro-4-methoxybenzaldehyde 1,3-benzothiazol-2-ylhydrazone is 292029-67-5.
What is the molecular formula of 3-Nitro-4-methoxybenzaldehyde 1,3-benzothiazol-2-ylhydrazone?
The molecular formula of 3-Nitro-4-methoxybenzaldehyde 1,3-benzothiazol-2-ylhydrazone is C15H12N4O3S.
What is the molecular weight of 3-Nitro-4-methoxybenzaldehyde 1,3-benzothiazol-2-ylhydrazone?
The molecular weight of 3-Nitro-4-methoxybenzaldehyde 1,3-benzothiazol-2-ylhydrazone is 328.06 g/mol.
Where can I buy 3-Nitro-4-methoxybenzaldehyde 1,3-benzothiazol-2-ylhydrazone?
You can request a quote for 3-Nitro-4-methoxybenzaldehyde 1,3-benzothiazol-2-ylhydrazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitro-4-methoxybenzaldehyde 1,3-benzothiazol-2-ylhydrazone?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitro-4-methoxybenzaldehyde 1,3-benzothiazol-2-ylhydrazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.