5-Chloro-4-(2-oxazolidinylideneamino)-2,1,3-benzothiadiazole
TL;DR: 5-Chloro-4-(2-oxazolidinylideneamino)-2,1,3-benzothiadiazole (CAS 87179-43-9) is a chemical compound with molecular formula C9H7ClN4OS and molecular weight 254.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4,5-dihydro-1,3-oxazol-2-amine
Also Known As: 5-Chloro-4-(2-oxazolidinylideneamino)-2,1,3-benzothiadiazole, 2,1,3-Benzothiadiazole, 5-chloro-4-(2-oxazolidinylideneamino)-, 2,1,3-Benzothiadiazol-4-amine, 5-chloro-N-(4,5-dihydro-2-oxazolyl)-, 5-Chloro-4-[(oxazolidin-2-ylidene)amino]-2,1,3-benzothiadiazole, 5-chloro-N-(1,3-oxazolidin-2-ylidene)-2,1,3-benzothiadiazol-4-amine
| Molecular Formula | C9H7ClN4OS |
|---|---|
| Molecular Weight | 254.00 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 87.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.00291 |
| Heavy Atoms | 16 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 87179-43-9 |
|---|---|
| SMILES | C1COC(=N1)NC2=C(C=CC3=NSN=C32)Cl |
| InChIKey | ZLYCWAHHMOTCRT-UHFFFAOYSA-N |
Product Overview
5-Chloro-4-(2-oxazolidinylideneamino)-2,1,3-benzothiadiazole (CAS 87179-43-9), with molecular formula C9H7ClN4OS and molecular weight 254.00 g/mol. IUPAC: N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4,5-dihydro-1,3-oxazol-2-amine.
Chemical Property Profile of 5-Chloro-4-(2-oxazolidinylideneamino)-2,1,3-benzothiadiazole
Property Insights of 5-Chloro-4-(2-oxazolidinylideneamino)-2,1,3-benzothiadiazole
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-4-(2-oxazolidinylideneamino)-2,1,3-benzothiadiazole. The TPSA of 87.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Chloro-4-(2-oxazolidinylideneamino)-2,1,3-benzothiadiazole. Following Lipinski's Rule of Five, 5-Chloro-4-(2-oxazolidinylideneamino)-2,1,3-benzothiadiazole has 1 hydrogen bond donor(s) and 5 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 5-Chloro-4-(2-oxazolidinylideneamino)-2,1,3-benzothiadiazole?
The CAS number of 5-Chloro-4-(2-oxazolidinylideneamino)-2,1,3-benzothiadiazole is 87179-43-9.
What is the molecular formula of 5-Chloro-4-(2-oxazolidinylideneamino)-2,1,3-benzothiadiazole?
The molecular formula of 5-Chloro-4-(2-oxazolidinylideneamino)-2,1,3-benzothiadiazole is C9H7ClN4OS.
What is the molecular weight of 5-Chloro-4-(2-oxazolidinylideneamino)-2,1,3-benzothiadiazole?
The molecular weight of 5-Chloro-4-(2-oxazolidinylideneamino)-2,1,3-benzothiadiazole is 254.00 g/mol.
Where can I buy 5-Chloro-4-(2-oxazolidinylideneamino)-2,1,3-benzothiadiazole?
You can request a quote for 5-Chloro-4-(2-oxazolidinylideneamino)-2,1,3-benzothiadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-4-(2-oxazolidinylideneamino)-2,1,3-benzothiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-4-(2-oxazolidinylideneamino)-2,1,3-benzothiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.