C21H20Cl2N4OS3
TL;DR: C21H20Cl2N4OS3 (CAS 836642-73-0) is a chemical compound with molecular formula C21H20Cl2N4OS3 and molecular weight 510.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2,6-dichlorophenyl)methylsulfanyl]-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)-pentaene
Also Known As: 3-((2,6-dichlorobenzyl)thio)-10-isopropyl-5-(methylthio)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine, 3-[(2,6-dichlorobenzyl)sulfanyl]-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]pyrimidine
| Molecular Formula | C21H20Cl2N4OS3 |
|---|---|
| Molecular Weight | 510.02 g/mol |
| LogP | 6.7573 |
| Topological Polar Surface Area | 52.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 510.01764 |
| Heavy Atoms | 31 |
| Complexity | 1266.8372 |
Chemical Identifiers
| CAS Number | 836642-73-0 |
|---|---|
| SMILES | CC(C)C1CC2=C(CO1)SC3=C2C4=NN=C(N4C(=N3)SC)SCC5=C(C=CC=C5Cl)Cl |
Product Overview
C21H20Cl2N4OS3 (CAS 836642-73-0), with molecular formula C21H20Cl2N4OS3 and molecular weight 510.02 g/mol. IUPAC: 5-[(2,6-dichlorophenyl)methylsulfanyl]-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)-pentaene.
Chemical Property Profile of C21H20Cl2N4OS3
Property Insights of C21H20Cl2N4OS3
The XLogP value of 6.7573 indicates that C21H20Cl2N4OS3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.31 Ų, C21H20Cl2N4OS3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C21H20Cl2N4OS3 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C21H20Cl2N4OS3?
The CAS number of C21H20Cl2N4OS3 is 836642-73-0.
What is the molecular formula of C21H20Cl2N4OS3?
The molecular formula of C21H20Cl2N4OS3 is C21H20Cl2N4OS3.
What is the molecular weight of C21H20Cl2N4OS3?
The molecular weight of C21H20Cl2N4OS3 is 510.02 g/mol.
Where can I buy C21H20Cl2N4OS3?
You can request a quote for C21H20Cl2N4OS3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H20Cl2N4OS3?
Yes, KEHONG BIO provides custom synthesis services for C21H20Cl2N4OS3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.