C20H22N6O2S4
TL;DR: C20H22N6O2S4 (CAS 577698-15-8) is a chemical compound with molecular formula C20H22N6O2S4 and molecular weight 506.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(14,14-dimethyl-7-propylsulfanyl-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]-N-(1,3-thiazol-2-yl)acetamide
Also Known As: 2-((10,10-dimethyl-5-(propylthio)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(thiazol-2-yl)acetamide, 2-{[10,10-dimethyl-5-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
| Molecular Formula | C20H22N6O2S4 |
|---|---|
| Molecular Weight | 506.07 g/mol |
| LogP | 4.8797 |
| Topological Polar Surface Area | 94.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 506.0687 |
| Heavy Atoms | 32 |
| Complexity | 1280.7197 |
Chemical Identifiers
| CAS Number | 577698-15-8 |
|---|---|
| SMILES | CCCSC1=NC2=C(C3=C(S2)COC(C3)(C)C)C4=NN=C(N41)SCC(=O)NC5=NC=CS5 |
Product Overview
C20H22N6O2S4 (CAS 577698-15-8), with molecular formula C20H22N6O2S4 and molecular weight 506.07 g/mol. IUPAC: 2-[(14,14-dimethyl-7-propylsulfanyl-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]-N-(1,3-thiazol-2-yl)acetamide.
Chemical Property Profile of C20H22N6O2S4
Property Insights of C20H22N6O2S4
The XLogP value of 4.8797 indicates that C20H22N6O2S4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.3 Ų falls within the moderate polarity range, balancing permeability and solubility for C20H22N6O2S4. Following Lipinski's Rule of Five, C20H22N6O2S4 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C20H22N6O2S4?
The CAS number of C20H22N6O2S4 is 577698-15-8.
What is the molecular formula of C20H22N6O2S4?
The molecular formula of C20H22N6O2S4 is C20H22N6O2S4.
What is the molecular weight of C20H22N6O2S4?
The molecular weight of C20H22N6O2S4 is 506.07 g/mol.
Where can I buy C20H22N6O2S4?
You can request a quote for C20H22N6O2S4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H22N6O2S4?
Yes, KEHONG BIO provides custom synthesis services for C20H22N6O2S4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.