C23H22N6OS
TL;DR: C23H22N6OS (CAS 849911-04-2) is a chemical compound with molecular formula C23H22N6OS and molecular weight 430.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-hexyl-17-[(E)-thiophen-2-ylmethylideneamino]-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one
Also Known As: (E)-3-hexyl-11-((thiophen-2-ylmethylene)amino)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one, 3-hexyl-11-{[(E)-thiophen-2-ylmethylidene]amino}-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
| Molecular Formula | C23H22N6OS |
|---|---|
| Molecular Weight | 430.16 g/mol |
| LogP | 4.8184 |
| Topological Polar Surface Area | 77.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 430.1576 |
| Heavy Atoms | 31 |
| Complexity | 1448.3059 |
Chemical Identifiers
| CAS Number | 849911-04-2 |
|---|---|
| SMILES | CCCCCCN1C=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2/N=C/C5=CC=CS5 |
Product Overview
C23H22N6OS (CAS 849911-04-2), with molecular formula C23H22N6OS and molecular weight 430.16 g/mol. IUPAC: 13-hexyl-17-[(E)-thiophen-2-ylmethylideneamino]-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one.
Chemical Property Profile of C23H22N6OS
Property Insights of C23H22N6OS
The XLogP value of 4.8184 indicates that C23H22N6OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.96 Ų falls within the moderate polarity range, balancing permeability and solubility for C23H22N6OS. Following Lipinski's Rule of Five, C23H22N6OS has 0 hydrogen bond donor(s) and 6 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 C23H22N6OS?
The CAS number of C23H22N6OS is 849911-04-2.
What is the molecular formula of C23H22N6OS?
The molecular formula of C23H22N6OS is C23H22N6OS.
What is the molecular weight of C23H22N6OS?
The molecular weight of C23H22N6OS is 430.16 g/mol.
Where can I buy C23H22N6OS?
You can request a quote for C23H22N6OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C23H22N6OS?
Yes, KEHONG BIO provides custom synthesis services for C23H22N6OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.