2-Thia-1,3-diazatricyclo(3.3.1.1(sup 3,7))decan-6-one, 5,7-diphenyl-, 2,2-dioxide
TL;DR: 2-Thia-1,3-diazatricyclo(3.3.1.1(sup 3,7))decan-6-one, 5,7-diphenyl-, 2,2-dioxide (CAS 14840-71-2) is a chemical compound with molecular formula C19H18N2O3S and molecular weight 354.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dioxo-5,7-diphenyl-2λ6-thia-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
Also Known As: 2-Thia-1,3-diazatricyclo(3.3.1.1(sup 3,7))decan-6-one, 5,7-diphenyl-, 2,2-dioxide, 5,7-Diphenyl-2-thia-1,3-diazatricyclo(3.3.1.1(sup 3,7))decan-6-one 2,2-dioxide, 5,7-Diphenyl-2lambda~6~-thia-1,3-diazatricyclo[3.3.1.1~3,7~]decane-2,2,6-trione, BRN 5411459, RefChem:267207
| Molecular Formula | C19H18N2O3S |
|---|---|
| Molecular Weight | 354.10 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 354.10382 |
| Heavy Atoms | 25 |
| Complexity | 609.0 |
Chemical Identifiers
| CAS Number | 14840-71-2 |
|---|---|
| SMILES | C1C2(CN3CC(C2=O)(CN1S3(=O)=O)C4=CC=CC=C4)C5=CC=CC=C5 |
| InChIKey | RNAVDPQNWXCBBL-UHFFFAOYSA-N |
Product Overview
2-Thia-1,3-diazatricyclo(3.3.1.1(sup 3,7))decan-6-one, 5,7-diphenyl-, 2,2-dioxide (CAS 14840-71-2), with molecular formula C19H18N2O3S and molecular weight 354.10 g/mol. IUPAC: 2,2-dioxo-5,7-diphenyl-2λ6-thia-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
Chemical Property Profile of 2-Thia-1,3-diazatricyclo(3.3.1.1(sup 3,7))decan-6-one, 5,7-diphenyl-, 2,2-dioxide
Property Insights of 2-Thia-1,3-diazatricyclo(3.3.1.1(sup 3,7))decan-6-one, 5,7-diphenyl-, 2,2-dioxide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Thia-1,3-diazatricyclo(3.3.1.1(sup 3,7))decan-6-one, 5,7-diphenyl-, 2,2-dioxide. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Thia-1,3-diazatricyclo(3.3.1.1(sup 3,7))decan-6-one, 5,7-diphenyl-, 2,2-dioxide. Following Lipinski's Rule of Five, 2-Thia-1,3-diazatricyclo(3.3.1.1(sup 3,7))decan-6-one, 5,7-diphenyl-, 2,2-dioxide 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 2-Thia-1,3-diazatricyclo(3.3.1.1(sup 3,7))decan-6-one, 5,7-diphenyl-, 2,2-dioxide?
The CAS number of 2-Thia-1,3-diazatricyclo(3.3.1.1(sup 3,7))decan-6-one, 5,7-diphenyl-, 2,2-dioxide is 14840-71-2.
What is the molecular formula of 2-Thia-1,3-diazatricyclo(3.3.1.1(sup 3,7))decan-6-one, 5,7-diphenyl-, 2,2-dioxide?
The molecular formula of 2-Thia-1,3-diazatricyclo(3.3.1.1(sup 3,7))decan-6-one, 5,7-diphenyl-, 2,2-dioxide is C19H18N2O3S.
What is the molecular weight of 2-Thia-1,3-diazatricyclo(3.3.1.1(sup 3,7))decan-6-one, 5,7-diphenyl-, 2,2-dioxide?
The molecular weight of 2-Thia-1,3-diazatricyclo(3.3.1.1(sup 3,7))decan-6-one, 5,7-diphenyl-, 2,2-dioxide is 354.10 g/mol.
Where can I buy 2-Thia-1,3-diazatricyclo(3.3.1.1(sup 3,7))decan-6-one, 5,7-diphenyl-, 2,2-dioxide?
You can request a quote for 2-Thia-1,3-diazatricyclo(3.3.1.1(sup 3,7))decan-6-one, 5,7-diphenyl-, 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 2-Thia-1,3-diazatricyclo(3.3.1.1(sup 3,7))decan-6-one, 5,7-diphenyl-, 2,2-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 2-Thia-1,3-diazatricyclo(3.3.1.1(sup 3,7))decan-6-one, 5,7-diphenyl-, 2,2-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.