C22H31N5S3
TL;DR: C22H31N5S3 (CAS 877779-90-3) is a chemical compound with molecular formula C22H31N5S3 and molecular weight 461.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
15-methyl-5-(2-piperidin-1-ylethylsulfanyl)-7-propylsulfanyl-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: 11-methyl-3-((2-(piperidin-1-yl)ethyl)thio)-5-(propylthio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine, 11-methyl-3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-5-(propylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
| Molecular Formula | C22H31N5S3 |
|---|---|
| Molecular Weight | 461.17 g/mol |
| LogP | 5.8589 |
| Topological Polar Surface Area | 46.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 461.17416 |
| Heavy Atoms | 30 |
| Complexity | 1021.03723 |
Chemical Identifiers
| CAS Number | 877779-90-3 |
|---|---|
| SMILES | CCCSC1=NC2=C(C3=C(S2)CCCC3C)C4=NN=C(N41)SCCN5CCCCC5 |
Product Overview
C22H31N5S3 (CAS 877779-90-3), with molecular formula C22H31N5S3 and molecular weight 461.17 g/mol. IUPAC: 15-methyl-5-(2-piperidin-1-ylethylsulfanyl)-7-propylsulfanyl-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 C22H31N5S3
Property Insights of C22H31N5S3
The XLogP value of 5.8589 indicates that C22H31N5S3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.32 Ų, C22H31N5S3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C22H31N5S3 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 C22H31N5S3?
The CAS number of C22H31N5S3 is 877779-90-3.
What is the molecular formula of C22H31N5S3?
The molecular formula of C22H31N5S3 is C22H31N5S3.
What is the molecular weight of C22H31N5S3?
The molecular weight of C22H31N5S3 is 461.17 g/mol.
Where can I buy C22H31N5S3?
You can request a quote for C22H31N5S3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H31N5S3?
Yes, KEHONG BIO provides custom synthesis services for C22H31N5S3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.