3-acetyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl propanoate
TL;DR: 3-acetyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl propanoate (CAS 903853-92-9) is a chemical compound with molecular formula C14H15NO5S and molecular weight 309.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-acetyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazin-4-yl) propanoate
Also Known As: (3-acetyl-2-methyl-1,1-dioxo-1, AB01312620-01, 3-acetyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl propanoate, 3-acetyl-2-methyl-1,1-dioxido-2H-benzo[e][1,2]thiazin-4-yl propionate
| Molecular Formula | C14H15NO5S |
|---|---|
| Molecular Weight | 309.07 g/mol |
| LogP | 1.5315 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 309.0671 |
| Heavy Atoms | 21 |
| Complexity | 748.3828 |
Chemical Identifiers
| CAS Number | 903853-92-9 |
|---|---|
| SMILES | CCC(=O)OC1=C(N(S(=O)(=O)C2=CC=CC=C21)C)C(=O)C |
Product Overview
3-acetyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl propanoate (CAS 903853-92-9), with molecular formula C14H15NO5S and molecular weight 309.07 g/mol. IUPAC: (3-acetyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazin-4-yl) propanoate.
Chemical Property Profile of 3-acetyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl propanoate
Property Insights of 3-acetyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl propanoate
The XLogP value of 1.5315 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-acetyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl propanoate. The TPSA of 80.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-acetyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl propanoate. Following Lipinski's Rule of Five, 3-acetyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl propanoate has 0 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 3-acetyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl propanoate?
The CAS number of 3-acetyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl propanoate is 903853-92-9.
What is the molecular formula of 3-acetyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl propanoate?
The molecular formula of 3-acetyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl propanoate is C14H15NO5S.
What is the molecular weight of 3-acetyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl propanoate?
The molecular weight of 3-acetyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl propanoate is 309.07 g/mol.
Where can I buy 3-acetyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl propanoate?
You can request a quote for 3-acetyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-acetyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl propanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-acetyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.