Pyrazolo(4,3-e)-1,2,4-thiadiazin-3(2H)-one, 4,6-dihydro-4,6-dimethyl-2-(phenylmethyl)-, 1,1-dioxide
TL;DR: Pyrazolo(4,3-e)-1,2,4-thiadiazin-3(2H)-one, 4,6-dihydro-4,6-dimethyl-2-(phenylmethyl)-, 1,1-dioxide (CAS 21602-37-9) is a chemical compound with molecular formula C13H14N4O3S and molecular weight 306.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-4,6-dimethyl-1,1-dioxopyrazolo[4,3-e][1,2,4]thiadiazin-3-one
Also Known As: Pyrazolo(4,3-e)-1,2,4-thiadiazin-3(2H)-one, 4,6-dihydro-4,6-dimethyl-2-(phenylmethyl)-, 1,1-dioxide, 2-benzyl-4,6-dimethyl-4,6-dihydropyrazolo[4,3-e][1,2,4]thiadiazin-3(2h)-one 1,1-dioxide, 1,1,3-Trioxo-2H,4H-thieno[3,4-e][1,2,4]thiadiazine der., 4,6-Dimethyl-2-benzylpyrazolo(4,3-e)1,2,4-thiadiazaperhydroine-1,1,3-trione, 2-benzyl-4,6-dimethyl-1,1-dioxo-pyrazolo[4,3-e][1,2,4]thiadiazin-3-one
| Molecular Formula | C13H14N4O3S |
|---|---|
| Molecular Weight | 306.08 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 83.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 306.07867 |
| Heavy Atoms | 21 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 21602-37-9 |
|---|---|
| SMILES | CN1C=C2C(=N1)S(=O)(=O)N(C(=O)N2C)CC3=CC=CC=C3 |
| InChIKey | MBIQBJZHIHWLLA-UHFFFAOYSA-N |
Product Overview
Pyrazolo(4,3-e)-1,2,4-thiadiazin-3(2H)-one, 4,6-dihydro-4,6-dimethyl-2-(phenylmethyl)-, 1,1-dioxide (CAS 21602-37-9), with molecular formula C13H14N4O3S and molecular weight 306.08 g/mol. IUPAC: 2-benzyl-4,6-dimethyl-1,1-dioxopyrazolo[4,3-e][1,2,4]thiadiazin-3-one.
Chemical Property Profile of Pyrazolo(4,3-e)-1,2,4-thiadiazin-3(2H)-one, 4,6-dihydro-4,6-dimethyl-2-(phenylmethyl)-, 1,1-dioxide
Property Insights of Pyrazolo(4,3-e)-1,2,4-thiadiazin-3(2H)-one, 4,6-dihydro-4,6-dimethyl-2-(phenylmethyl)-, 1,1-dioxide
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrazolo(4,3-e)-1,2,4-thiadiazin-3(2H)-one, 4,6-dihydro-4,6-dimethyl-2-(phenylmethyl)-, 1,1-dioxide. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrazolo(4,3-e)-1,2,4-thiadiazin-3(2H)-one, 4,6-dihydro-4,6-dimethyl-2-(phenylmethyl)-, 1,1-dioxide. Following Lipinski's Rule of Five, Pyrazolo(4,3-e)-1,2,4-thiadiazin-3(2H)-one, 4,6-dihydro-4,6-dimethyl-2-(phenylmethyl)-, 1,1-dioxide has 0 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 Pyrazolo(4,3-e)-1,2,4-thiadiazin-3(2H)-one, 4,6-dihydro-4,6-dimethyl-2-(phenylmethyl)-, 1,1-dioxide?
The CAS number of Pyrazolo(4,3-e)-1,2,4-thiadiazin-3(2H)-one, 4,6-dihydro-4,6-dimethyl-2-(phenylmethyl)-, 1,1-dioxide is 21602-37-9.
What is the molecular formula of Pyrazolo(4,3-e)-1,2,4-thiadiazin-3(2H)-one, 4,6-dihydro-4,6-dimethyl-2-(phenylmethyl)-, 1,1-dioxide?
The molecular formula of Pyrazolo(4,3-e)-1,2,4-thiadiazin-3(2H)-one, 4,6-dihydro-4,6-dimethyl-2-(phenylmethyl)-, 1,1-dioxide is C13H14N4O3S.
What is the molecular weight of Pyrazolo(4,3-e)-1,2,4-thiadiazin-3(2H)-one, 4,6-dihydro-4,6-dimethyl-2-(phenylmethyl)-, 1,1-dioxide?
The molecular weight of Pyrazolo(4,3-e)-1,2,4-thiadiazin-3(2H)-one, 4,6-dihydro-4,6-dimethyl-2-(phenylmethyl)-, 1,1-dioxide is 306.08 g/mol.
Where can I buy Pyrazolo(4,3-e)-1,2,4-thiadiazin-3(2H)-one, 4,6-dihydro-4,6-dimethyl-2-(phenylmethyl)-, 1,1-dioxide?
You can request a quote for Pyrazolo(4,3-e)-1,2,4-thiadiazin-3(2H)-one, 4,6-dihydro-4,6-dimethyl-2-(phenylmethyl)-, 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrazolo(4,3-e)-1,2,4-thiadiazin-3(2H)-one, 4,6-dihydro-4,6-dimethyl-2-(phenylmethyl)-, 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for Pyrazolo(4,3-e)-1,2,4-thiadiazin-3(2H)-one, 4,6-dihydro-4,6-dimethyl-2-(phenylmethyl)-, 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.