C16H22N2O2S3
TL;DR: C16H22N2O2S3 (CAS 903860-35-5) is a chemical compound with molecular formula C16H22N2O2S3 and molecular weight 370.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(11,11-dimethyl-4-propan-2-ylsulfanyl-12-oxa-8-thia-3,5-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-6-yl)sulfanyl]ethanol
Also Known As: 2-((2-(isopropylthio)-7,7-dimethyl-7,9-dihydro-6H-pyrano[3',4':4,5]thieno[3,2-d]pyrimidin-4-yl)thio)ethanol, 2-{[7,7-dimethyl-2-(propan-2-ylsulfanyl)-6,9-dihydro-7H-pyrano[3',4':4,5]thieno[3,2-d]pyrimidin-4-yl]sulfanyl}ethanol
| Molecular Formula | C16H22N2O2S3 |
|---|---|
| Molecular Weight | 370.08 g/mol |
| LogP | 4.1275 |
| Topological Polar Surface Area | 55.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 370.08435 |
| Heavy Atoms | 23 |
| Complexity | 712.9035 |
Chemical Identifiers
| CAS Number | 903860-35-5 |
|---|---|
| SMILES | CC(C)SC1=NC2=C(C(=N1)SCCO)SC3=C2COC(C3)(C)C |
Product Overview
C16H22N2O2S3 (CAS 903860-35-5), with molecular formula C16H22N2O2S3 and molecular weight 370.08 g/mol. IUPAC: 2-[(11,11-dimethyl-4-propan-2-ylsulfanyl-12-oxa-8-thia-3,5-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-6-yl)sulfanyl]ethanol.
Chemical Property Profile of C16H22N2O2S3
Property Insights of C16H22N2O2S3
The XLogP value of 4.1275 indicates that C16H22N2O2S3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.24 Ų, C16H22N2O2S3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C16H22N2O2S3 has 1 hydrogen bond donor(s) and 7 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 C16H22N2O2S3?
The CAS number of C16H22N2O2S3 is 903860-35-5.
What is the molecular formula of C16H22N2O2S3?
The molecular formula of C16H22N2O2S3 is C16H22N2O2S3.
What is the molecular weight of C16H22N2O2S3?
The molecular weight of C16H22N2O2S3 is 370.08 g/mol.
Where can I buy C16H22N2O2S3?
You can request a quote for C16H22N2O2S3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H22N2O2S3?
Yes, KEHONG BIO provides custom synthesis services for C16H22N2O2S3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.