C22H22N4O2S3
TL;DR: C22H22N4O2S3 (CAS 383902-31-6) is a chemical compound with molecular formula C22H22N4O2S3 and molecular weight 470.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(7-methylsulfanyl-14-propan-2-yl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]-1-phenylethanone
Also Known As: 2-((10-isopropyl-5-(methylthio)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-phenylethanone, 2-{[5-(methylsulfanyl)-10-(propan-2-yl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-1-phenylethanone
| Molecular Formula | C22H22N4O2S3 |
|---|---|
| Molecular Weight | 470.09 g/mol |
| LogP | 5.1332 |
| Topological Polar Surface Area | 69.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 470.09048 |
| Heavy Atoms | 31 |
| Complexity | 1266.478 |
Chemical Identifiers
| CAS Number | 383902-31-6 |
|---|---|
| SMILES | CC(C)C1CC2=C(CO1)SC3=C2C4=NN=C(N4C(=N3)SC)SCC(=O)C5=CC=CC=C5 |
Product Overview
C22H22N4O2S3 (CAS 383902-31-6), with molecular formula C22H22N4O2S3 and molecular weight 470.09 g/mol. IUPAC: 2-[(7-methylsulfanyl-14-propan-2-yl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]-1-phenylethanone.
Chemical Property Profile of C22H22N4O2S3
Property Insights of C22H22N4O2S3
The XLogP value of 5.1332 indicates that C22H22N4O2S3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.38 Ų falls within the moderate polarity range, balancing permeability and solubility for C22H22N4O2S3. Following Lipinski's Rule of Five, C22H22N4O2S3 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C22H22N4O2S3?
The CAS number of C22H22N4O2S3 is 383902-31-6.
What is the molecular formula of C22H22N4O2S3?
The molecular formula of C22H22N4O2S3 is C22H22N4O2S3.
What is the molecular weight of C22H22N4O2S3?
The molecular weight of C22H22N4O2S3 is 470.09 g/mol.
Where can I buy C22H22N4O2S3?
You can request a quote for C22H22N4O2S3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H22N4O2S3?
Yes, KEHONG BIO provides custom synthesis services for C22H22N4O2S3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.