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[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate
TL;DR: [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate (CAS 749917-91-7) is a chemical compound with molecular formula C18H17N3O6S2 and molecular weight 435.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate
Also Known As: [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate|2-Oxo-2-(3-sulfamoylanilino)ethyl (3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate|MLS002248476|SMR001315943
| Molecular Formula | C18H17N3O6S2 |
|---|---|
| Molecular Weight | 435.06 g/mol |
| LogP | 1.3188 |
| Topological Polar Surface Area | 144.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 435.05588 |
| Heavy Atoms | 29 |
| Complexity | 1070.7711 |
Chemical Identifiers
| CAS Number | 749917-91-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=O)C(S2)CC(=O)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N |
Product Overview
[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate (CAS 749917-91-7), with molecular formula C18H17N3O6S2 and molecular weight 435.06 g/mol. IUPAC: [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate.
Chemical Property Profile of [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate
Property Insights of [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate
The XLogP value of 1.3188 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate. The TPSA of 144.66 Ų indicates high polarity, suggesting [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate has 3 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 [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate?
The CAS number of [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate is 749917-91-7.
What is the molecular formula of [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate?
The molecular formula of [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate is C18H17N3O6S2.
What is the molecular weight of [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate?
The molecular weight of [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate is 435.06 g/mol.
Where can I buy [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate?
You can request a quote for [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.