2-(2,1,3-Benzothiadiazol-4-ylamino)-2-oxoethyl 2-fluoro-5-(4-morpholinylsulfonyl)benzoate
TL;DR: 2-(2,1,3-Benzothiadiazol-4-ylamino)-2-oxoethyl 2-fluoro-5-(4-morpholinylsulfonyl)benzoate (CAS 956506-55-1) is a chemical compound with molecular formula C19H17FN4O6S2 and molecular weight 480.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
Also Known As: 2-(2,1,3-Benzothiadiazol-4-ylamino)-2-oxoethyl 2-fluoro-5-(4-morpholinylsulfonyl)benzoate, [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate, 2-[(2,1,3-Benzothiadiazol-4-yl)amino]-2-oxoethyl 2-fluoro-5-(morpholine-4-sulfonyl)benzoate
| Molecular Formula | C19H17FN4O6S2 |
|---|---|
| Molecular Weight | 480.06 g/mol |
| LogP | 1.6468 |
| Topological Polar Surface Area | 127.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 480.05734 |
| Heavy Atoms | 32 |
| Complexity | 1273.8135 |
Chemical Identifiers
| CAS Number | 956506-55-1 |
|---|---|
| SMILES | C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)OCC(=O)NC3=CC=CC4=NSN=C43 |
Product Overview
2-(2,1,3-Benzothiadiazol-4-ylamino)-2-oxoethyl 2-fluoro-5-(4-morpholinylsulfonyl)benzoate (CAS 956506-55-1), with molecular formula C19H17FN4O6S2 and molecular weight 480.06 g/mol. IUPAC: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate.
Chemical Property Profile of 2-(2,1,3-Benzothiadiazol-4-ylamino)-2-oxoethyl 2-fluoro-5-(4-morpholinylsulfonyl)benzoate
Property Insights of 2-(2,1,3-Benzothiadiazol-4-ylamino)-2-oxoethyl 2-fluoro-5-(4-morpholinylsulfonyl)benzoate
The XLogP value of 1.6468 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,1,3-Benzothiadiazol-4-ylamino)-2-oxoethyl 2-fluoro-5-(4-morpholinylsulfonyl)benzoate. The TPSA of 127.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,1,3-Benzothiadiazol-4-ylamino)-2-oxoethyl 2-fluoro-5-(4-morpholinylsulfonyl)benzoate. Following Lipinski's Rule of Five, 2-(2,1,3-Benzothiadiazol-4-ylamino)-2-oxoethyl 2-fluoro-5-(4-morpholinylsulfonyl)benzoate has 1 hydrogen bond donor(s) and 9 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 2-(2,1,3-Benzothiadiazol-4-ylamino)-2-oxoethyl 2-fluoro-5-(4-morpholinylsulfonyl)benzoate?
The CAS number of 2-(2,1,3-Benzothiadiazol-4-ylamino)-2-oxoethyl 2-fluoro-5-(4-morpholinylsulfonyl)benzoate is 956506-55-1.
What is the molecular formula of 2-(2,1,3-Benzothiadiazol-4-ylamino)-2-oxoethyl 2-fluoro-5-(4-morpholinylsulfonyl)benzoate?
The molecular formula of 2-(2,1,3-Benzothiadiazol-4-ylamino)-2-oxoethyl 2-fluoro-5-(4-morpholinylsulfonyl)benzoate is C19H17FN4O6S2.
What is the molecular weight of 2-(2,1,3-Benzothiadiazol-4-ylamino)-2-oxoethyl 2-fluoro-5-(4-morpholinylsulfonyl)benzoate?
The molecular weight of 2-(2,1,3-Benzothiadiazol-4-ylamino)-2-oxoethyl 2-fluoro-5-(4-morpholinylsulfonyl)benzoate is 480.06 g/mol.
Where can I buy 2-(2,1,3-Benzothiadiazol-4-ylamino)-2-oxoethyl 2-fluoro-5-(4-morpholinylsulfonyl)benzoate?
You can request a quote for 2-(2,1,3-Benzothiadiazol-4-ylamino)-2-oxoethyl 2-fluoro-5-(4-morpholinylsulfonyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,1,3-Benzothiadiazol-4-ylamino)-2-oxoethyl 2-fluoro-5-(4-morpholinylsulfonyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,1,3-Benzothiadiazol-4-ylamino)-2-oxoethyl 2-fluoro-5-(4-morpholinylsulfonyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.