4,6-Dichloro-7-nitro-1,3-benzothiazole
TL;DR: 4,6-Dichloro-7-nitro-1,3-benzothiazole (CAS 496875-19-5) is a chemical compound with molecular formula C7H2Cl2N2O2S and molecular weight 247.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dichloro-7-nitro-1,3-benzothiazole
Also Known As: 4,6-dichloro-7-nitro-1,3-benzothiazole, AN-970/40920612
| Molecular Formula | C7H2Cl2N2O2S |
|---|---|
| Molecular Weight | 247.92 g/mol |
| LogP | 3.5113 |
| Topological Polar Surface Area | 56.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 247.9214 |
| Heavy Atoms | 14 |
| Complexity | 525.62933 |
Chemical Identifiers
| CAS Number | 496875-19-5 |
|---|---|
| SMILES | C1=C(C2=C(C(=C1Cl)[N+](=O)[O-])SC=N2)Cl |
Product Overview
4,6-Dichloro-7-nitro-1,3-benzothiazole (CAS 496875-19-5), with molecular formula C7H2Cl2N2O2S and molecular weight 247.92 g/mol. IUPAC: 4,6-dichloro-7-nitro-1,3-benzothiazole.
Chemical Property Profile of 4,6-Dichloro-7-nitro-1,3-benzothiazole
Property Insights of 4,6-Dichloro-7-nitro-1,3-benzothiazole
The XLogP value of 3.5113 indicates that 4,6-Dichloro-7-nitro-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.03 Ų, 4,6-Dichloro-7-nitro-1,3-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-Dichloro-7-nitro-1,3-benzothiazole 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 4,6-Dichloro-7-nitro-1,3-benzothiazole?
The CAS number of 4,6-Dichloro-7-nitro-1,3-benzothiazole is 496875-19-5.
What is the molecular formula of 4,6-Dichloro-7-nitro-1,3-benzothiazole?
The molecular formula of 4,6-Dichloro-7-nitro-1,3-benzothiazole is C7H2Cl2N2O2S.
What is the molecular weight of 4,6-Dichloro-7-nitro-1,3-benzothiazole?
The molecular weight of 4,6-Dichloro-7-nitro-1,3-benzothiazole is 247.92 g/mol.
Where can I buy 4,6-Dichloro-7-nitro-1,3-benzothiazole?
You can request a quote for 4,6-Dichloro-7-nitro-1,3-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Dichloro-7-nitro-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Dichloro-7-nitro-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.