1-benzyl-1H-2,1-benzothiazin-4(3H)-one 2,2-dioxide
TL;DR: 1-benzyl-1H-2,1-benzothiazin-4(3H)-one 2,2-dioxide (CAS 31846-95-4) is a chemical compound with molecular formula C15H13NO3S and molecular weight 287.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-2,2-dioxo-2λ6,1-benzothiazin-4-one
Also Known As: starbld0012027, Maybridge3_000623, 1-benzyl-2,2-dioxo-2, 1-benzyl-1H-2,1-benzothiazin-4(3H)-one 2,2-dioxide, IDI1_012010
| Molecular Formula | C15H13NO3S |
|---|---|
| Molecular Weight | 287.06 g/mol |
| LogP | 2.2193 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.0616 |
| Heavy Atoms | 20 |
| Complexity | 753.69794 |
Chemical Identifiers
| CAS Number | 31846-95-4 |
|---|---|
| SMILES | C1C(=O)C2=CC=CC=C2N(S1(=O)=O)CC3=CC=CC=C3 |
Product Overview
1-benzyl-1H-2,1-benzothiazin-4(3H)-one 2,2-dioxide (CAS 31846-95-4), with molecular formula C15H13NO3S and molecular weight 287.06 g/mol. IUPAC: 1-benzyl-2,2-dioxo-2λ6,1-benzothiazin-4-one.
Chemical Property Profile of 1-benzyl-1H-2,1-benzothiazin-4(3H)-one 2,2-dioxide
Property Insights of 1-benzyl-1H-2,1-benzothiazin-4(3H)-one 2,2-dioxide
The XLogP value of 2.2193 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-benzyl-1H-2,1-benzothiazin-4(3H)-one 2,2-dioxide. With a topological polar surface area (TPSA) of 54.45 Ų, 1-benzyl-1H-2,1-benzothiazin-4(3H)-one 2,2-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-benzyl-1H-2,1-benzothiazin-4(3H)-one 2,2-dioxide has 0 hydrogen bond donor(s) and 3 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 1-benzyl-1H-2,1-benzothiazin-4(3H)-one 2,2-dioxide?
The CAS number of 1-benzyl-1H-2,1-benzothiazin-4(3H)-one 2,2-dioxide is 31846-95-4.
What is the molecular formula of 1-benzyl-1H-2,1-benzothiazin-4(3H)-one 2,2-dioxide?
The molecular formula of 1-benzyl-1H-2,1-benzothiazin-4(3H)-one 2,2-dioxide is C15H13NO3S.
What is the molecular weight of 1-benzyl-1H-2,1-benzothiazin-4(3H)-one 2,2-dioxide?
The molecular weight of 1-benzyl-1H-2,1-benzothiazin-4(3H)-one 2,2-dioxide is 287.06 g/mol.
Where can I buy 1-benzyl-1H-2,1-benzothiazin-4(3H)-one 2,2-dioxide?
You can request a quote for 1-benzyl-1H-2,1-benzothiazin-4(3H)-one 2,2-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-benzyl-1H-2,1-benzothiazin-4(3H)-one 2,2-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-1H-2,1-benzothiazin-4(3H)-one 2,2-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.