3,4-Bis(1,3-benzothiazol-2-ylsulfanyl)-5-nitrobenzaldehyde
TL;DR: 3,4-Bis(1,3-benzothiazol-2-ylsulfanyl)-5-nitrobenzaldehyde (CAS 730992-61-7) is a chemical compound with molecular formula C21H11N3O3S4 and molecular weight 480.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-bis(1,3-benzothiazol-2-ylsulfanyl)-5-nitrobenzaldehyde
Also Known As: 3,4-bis(1,3-benzothiazol-2-ylsulfanyl)-5-nitrobenzaldehyde, 3,4-bis(benzothiazol-2-ylsulfanyl)-5-nitro-benzaldehyde
| Molecular Formula | C21H11N3O3S4 |
|---|---|
| Molecular Weight | 480.97 g/mol |
| LogP | 6.9291 |
| Topological Polar Surface Area | 85.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 480.96832 |
| Heavy Atoms | 31 |
| Complexity | 1395.1069 |
Chemical Identifiers
| CAS Number | 730992-61-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SC3=CC(=CC(=C3SC4=NC5=CC=CC=C5S4)[N+](=O)[O-])C=O |
Product Overview
3,4-Bis(1,3-benzothiazol-2-ylsulfanyl)-5-nitrobenzaldehyde (CAS 730992-61-7), with molecular formula C21H11N3O3S4 and molecular weight 480.97 g/mol. IUPAC: 3,4-bis(1,3-benzothiazol-2-ylsulfanyl)-5-nitrobenzaldehyde.
Chemical Property Profile of 3,4-Bis(1,3-benzothiazol-2-ylsulfanyl)-5-nitrobenzaldehyde
Property Insights of 3,4-Bis(1,3-benzothiazol-2-ylsulfanyl)-5-nitrobenzaldehyde
The XLogP value of 6.9291 indicates that 3,4-Bis(1,3-benzothiazol-2-ylsulfanyl)-5-nitrobenzaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Bis(1,3-benzothiazol-2-ylsulfanyl)-5-nitrobenzaldehyde. Following Lipinski's Rule of Five, 3,4-Bis(1,3-benzothiazol-2-ylsulfanyl)-5-nitrobenzaldehyde has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,4-Bis(1,3-benzothiazol-2-ylsulfanyl)-5-nitrobenzaldehyde?
The CAS number of 3,4-Bis(1,3-benzothiazol-2-ylsulfanyl)-5-nitrobenzaldehyde is 730992-61-7.
What is the molecular formula of 3,4-Bis(1,3-benzothiazol-2-ylsulfanyl)-5-nitrobenzaldehyde?
The molecular formula of 3,4-Bis(1,3-benzothiazol-2-ylsulfanyl)-5-nitrobenzaldehyde is C21H11N3O3S4.
What is the molecular weight of 3,4-Bis(1,3-benzothiazol-2-ylsulfanyl)-5-nitrobenzaldehyde?
The molecular weight of 3,4-Bis(1,3-benzothiazol-2-ylsulfanyl)-5-nitrobenzaldehyde is 480.97 g/mol.
Where can I buy 3,4-Bis(1,3-benzothiazol-2-ylsulfanyl)-5-nitrobenzaldehyde?
You can request a quote for 3,4-Bis(1,3-benzothiazol-2-ylsulfanyl)-5-nitrobenzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Bis(1,3-benzothiazol-2-ylsulfanyl)-5-nitrobenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Bis(1,3-benzothiazol-2-ylsulfanyl)-5-nitrobenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.