1-(Phenylmethyl)-1,3,3a,4,9,9a-hexahydroisothiazolo(3,4-b)quinoxaline 2,2-dioxide
TL;DR: 1-(Phenylmethyl)-1,3,3a,4,9,9a-hexahydroisothiazolo(3,4-b)quinoxaline 2,2-dioxide (CAS 129303-30-6) is a chemical compound with molecular formula C16H17N3O2S and molecular weight 315.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3a,4,9,9a-tetrahydro-3H-[1,2]thiazolo[4,3-b]quinoxaline 2,2-dioxide
Also Known As: 1-(Phenylmethyl)-1,3,3a,4,9,9a-hexahydroisothiazolo(3,4-b)quinoxaline 2,2-dioxide, (N-Benzyl)-isothiazolo(3,4-b)hexahydro-1,3,3a,4,9,9a quinoxaline dioxyde-2,2 [French], Isothiazolo(3,4-b)quinoxaline, 1,3,3a,4,9,9a-hexahydro-1-(phenylmethyl)-, 2,2-dioxide, (N-Benzyl)-isothiazolo(3,4-b)hexahydro-1,3,3a,4,9,9a quinoxaline dioxyde-2,2, 1-benzyl-3a,4,9,9a-tetrahydro-3H-[1,2]thiazolo[4,3-b]quinoxaline 2,2-dioxide
| Molecular Formula | C16H17N3O2S |
|---|---|
| Molecular Weight | 315.10 g/mol |
| LogP | 2.0643 |
| Topological Polar Surface Area | 61.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 315.10416 |
| Heavy Atoms | 22 |
| Complexity | 792.04803 |
Chemical Identifiers
| CAS Number | 129303-30-6 |
|---|---|
| SMILES | C1C2C(NC3=CC=CC=C3N2)N(S1(=O)=O)CC4=CC=CC=C4 |
Product Overview
1-(Phenylmethyl)-1,3,3a,4,9,9a-hexahydroisothiazolo(3,4-b)quinoxaline 2,2-dioxide (CAS 129303-30-6), with molecular formula C16H17N3O2S and molecular weight 315.10 g/mol. IUPAC: 1-benzyl-3a,4,9,9a-tetrahydro-3H-[1,2]thiazolo[4,3-b]quinoxaline 2,2-dioxide.
Chemical Property Profile of 1-(Phenylmethyl)-1,3,3a,4,9,9a-hexahydroisothiazolo(3,4-b)quinoxaline 2,2-dioxide
Property Insights of 1-(Phenylmethyl)-1,3,3a,4,9,9a-hexahydroisothiazolo(3,4-b)quinoxaline 2,2-dioxide
The XLogP value of 2.0643 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Phenylmethyl)-1,3,3a,4,9,9a-hexahydroisothiazolo(3,4-b)quinoxaline 2,2-dioxide. The TPSA of 61.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Phenylmethyl)-1,3,3a,4,9,9a-hexahydroisothiazolo(3,4-b)quinoxaline 2,2-dioxide. Following Lipinski's Rule of Five, 1-(Phenylmethyl)-1,3,3a,4,9,9a-hexahydroisothiazolo(3,4-b)quinoxaline 2,2-dioxide has 2 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 1-(Phenylmethyl)-1,3,3a,4,9,9a-hexahydroisothiazolo(3,4-b)quinoxaline 2,2-dioxide?
The CAS number of 1-(Phenylmethyl)-1,3,3a,4,9,9a-hexahydroisothiazolo(3,4-b)quinoxaline 2,2-dioxide is 129303-30-6.
What is the molecular formula of 1-(Phenylmethyl)-1,3,3a,4,9,9a-hexahydroisothiazolo(3,4-b)quinoxaline 2,2-dioxide?
The molecular formula of 1-(Phenylmethyl)-1,3,3a,4,9,9a-hexahydroisothiazolo(3,4-b)quinoxaline 2,2-dioxide is C16H17N3O2S.
What is the molecular weight of 1-(Phenylmethyl)-1,3,3a,4,9,9a-hexahydroisothiazolo(3,4-b)quinoxaline 2,2-dioxide?
The molecular weight of 1-(Phenylmethyl)-1,3,3a,4,9,9a-hexahydroisothiazolo(3,4-b)quinoxaline 2,2-dioxide is 315.10 g/mol.
Where can I buy 1-(Phenylmethyl)-1,3,3a,4,9,9a-hexahydroisothiazolo(3,4-b)quinoxaline 2,2-dioxide?
You can request a quote for 1-(Phenylmethyl)-1,3,3a,4,9,9a-hexahydroisothiazolo(3,4-b)quinoxaline 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-(Phenylmethyl)-1,3,3a,4,9,9a-hexahydroisothiazolo(3,4-b)quinoxaline 2,2-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 1-(Phenylmethyl)-1,3,3a,4,9,9a-hexahydroisothiazolo(3,4-b)quinoxaline 2,2-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.