C27H22N6O2S
TL;DR: C27H22N6O2S (CAS 862245-04-3) is a chemical compound with molecular formula C27H22N6O2S and molecular weight 494.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-[2-(4-methoxyphenyl)ethyl]-14-methyl-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-(4-methoxyphenethyl)-2-methyl-11-((thiophen-2-ylmethylene)amino)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one, 3-[2-(4-methoxyphenyl)ethyl]-2-methyl-11-{[(E)-thiophen-2-ylmethylidene]amino}-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
| Molecular Formula | C27H22N6O2S |
|---|---|
| Molecular Weight | 494.15 g/mol |
| LogP | 4.79782 |
| Topological Polar Surface Area | 87.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 494.1525 |
| Heavy Atoms | 36 |
| Complexity | 1800.9451 |
Chemical Identifiers
| CAS Number | 862245-04-3 |
|---|---|
| SMILES | CC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2/N=C/C5=CC=CS5)C(=O)N1CCC6=CC=C(C=C6)OC |
Product Overview
C27H22N6O2S (CAS 862245-04-3), with molecular formula C27H22N6O2S and molecular weight 494.15 g/mol. IUPAC: 13-[2-(4-methoxyphenyl)ethyl]-14-methyl-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 C27H22N6O2S
Property Insights of C27H22N6O2S
The XLogP value of 4.79782 indicates that C27H22N6O2S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.19 Ų falls within the moderate polarity range, balancing permeability and solubility for C27H22N6O2S. Following Lipinski's Rule of Five, C27H22N6O2S has 0 hydrogen bond donor(s) and 7 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 C27H22N6O2S?
The CAS number of C27H22N6O2S is 862245-04-3.
What is the molecular formula of C27H22N6O2S?
The molecular formula of C27H22N6O2S is C27H22N6O2S.
What is the molecular weight of C27H22N6O2S?
The molecular weight of C27H22N6O2S is 494.15 g/mol.
Where can I buy C27H22N6O2S?
You can request a quote for C27H22N6O2S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C27H22N6O2S?
Yes, KEHONG BIO provides custom synthesis services for C27H22N6O2S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.