C22H22N6OS
TL;DR: C22H22N6OS (CAS 846580-32-3) is a chemical compound with molecular formula C22H22N6OS and molecular weight 418.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-morpholin-4-yl-N-(pyridin-3-ylmethyl)-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-amine
Also Known As: 4-(morpholin-4-yl)-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-amine, 4-morpholino-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-amine
| Molecular Formula | C22H22N6OS |
|---|---|
| Molecular Weight | 418.16 g/mol |
| LogP | 3.5719 |
| Topological Polar Surface Area | 76.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.1576 |
| Heavy Atoms | 30 |
| Complexity | 1218.9888 |
Chemical Identifiers
| CAS Number | 846580-32-3 |
|---|---|
| SMILES | C1CC2=C(C1)C(=NC3=C2C4=C(S3)C(=NC=N4)NCC5=CN=CC=C5)N6CCOCC6 |
Product Overview
C22H22N6OS (CAS 846580-32-3), with molecular formula C22H22N6OS and molecular weight 418.16 g/mol. IUPAC: 7-morpholin-4-yl-N-(pyridin-3-ylmethyl)-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-amine.
Chemical Property Profile of C22H22N6OS
Property Insights of C22H22N6OS
The XLogP value of 3.5719 indicates that C22H22N6OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.06 Ų falls within the moderate polarity range, balancing permeability and solubility for C22H22N6OS. Following Lipinski's Rule of Five, C22H22N6OS has 1 hydrogen bond donor(s) and 8 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 C22H22N6OS?
The CAS number of C22H22N6OS is 846580-32-3.
What is the molecular formula of C22H22N6OS?
The molecular formula of C22H22N6OS is C22H22N6OS.
What is the molecular weight of C22H22N6OS?
The molecular weight of C22H22N6OS is 418.16 g/mol.
Where can I buy C22H22N6OS?
You can request a quote for C22H22N6OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H22N6OS?
Yes, KEHONG BIO provides custom synthesis services for C22H22N6OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.