1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-(phenylmethyl)-, 2,2-dioxide
TL;DR: 1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-(phenylmethyl)-, 2,2-dioxide (CAS 3866-81-7) is a chemical compound with molecular formula C14H12N2O3S and molecular weight 288.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-4-one
Also Known As: Maybridge3_001930, 3-benzyl-2,2-dioxo-1H-2, 3-benzyl-3,4-dihydro-1H-2, IDI1_013317, 3-Benzyl-2,1,3-benzothiadiazin-4(1H)-one 2,2-dioxide
| Molecular Formula | C14H12N2O3S |
|---|---|
| Molecular Weight | 288.06 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.05685 |
| Heavy Atoms | 20 |
| Complexity | 465.0 |
Chemical Identifiers
| CAS Number | 3866-81-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3NS2(=O)=O |
| InChIKey | KJGZYYOOLJUWKX-UHFFFAOYSA-N |
Product Overview
1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-(phenylmethyl)-, 2,2-dioxide (CAS 3866-81-7), with molecular formula C14H12N2O3S and molecular weight 288.06 g/mol. IUPAC: 3-benzyl-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-4-one.
Chemical Property Profile of 1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-(phenylmethyl)-, 2,2-dioxide
Property Insights of 1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-(phenylmethyl)-, 2,2-dioxide
The XLogP value of 3.5 indicates that 1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-(phenylmethyl)-, 2,2-dioxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-(phenylmethyl)-, 2,2-dioxide. Following Lipinski's Rule of Five, 1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-(phenylmethyl)-, 2,2-dioxide has 1 hydrogen bond donor(s) and 4 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 1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-(phenylmethyl)-, 2,2-dioxide?
The CAS number of 1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-(phenylmethyl)-, 2,2-dioxide is 3866-81-7.
What is the molecular formula of 1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-(phenylmethyl)-, 2,2-dioxide?
The molecular formula of 1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-(phenylmethyl)-, 2,2-dioxide is C14H12N2O3S.
What is the molecular weight of 1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-(phenylmethyl)-, 2,2-dioxide?
The molecular weight of 1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-(phenylmethyl)-, 2,2-dioxide is 288.06 g/mol.
Where can I buy 1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-(phenylmethyl)-, 2,2-dioxide?
You can request a quote for 1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-(phenylmethyl)-, 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 1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-(phenylmethyl)-, 2,2-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-(phenylmethyl)-, 2,2-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.