2-methanesulfonyl-8,10-dimethyl-6,13-dioxo-11,13-dihydro-6H-1,3,5a,11-tetraazatetraphene-12-carbonitrile
TL;DR: 2-methanesulfonyl-8,10-dimethyl-6,13-dioxo-11,13-dihydro-6H-1,3,5a,11-tetraazatetraphene-12-carbonitrile (CAS 328033-52-9) is a chemical compound with molecular formula C18H13N5O4S and molecular weight 395.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13,15-dimethyl-5-methylsulfonyl-8,18-dioxo-1,4,6,11-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6,9,12,14,16-heptaene-9-carbonitrile
Also Known As: 2-methanesulfonyl-8,10-dimethyl-6,13-dioxo-11,13-dihydro-6H-1,3,5a,11-tetraazatetraphene-12-carbonitrile
| Molecular Formula | C18H13N5O4S |
|---|---|
| Molecular Weight | 395.07 g/mol |
| LogP | 0.97622 |
| Topological Polar Surface Area | 138.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 395.06882 |
| Heavy Atoms | 28 |
| Complexity | 1607.9438 |
Chemical Identifiers
| CAS Number | 328033-52-9 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)C(=O)N3C4=CN=C(N=C4C(=O)C(=C3N2)C#N)S(=O)(=O)C)C |
Product Overview
2-methanesulfonyl-8,10-dimethyl-6,13-dioxo-11,13-dihydro-6H-1,3,5a,11-tetraazatetraphene-12-carbonitrile (CAS 328033-52-9), with molecular formula C18H13N5O4S and molecular weight 395.07 g/mol. IUPAC: 13,15-dimethyl-5-methylsulfonyl-8,18-dioxo-1,4,6,11-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6,9,12,14,16-heptaene-9-carbonitrile.
Chemical Property Profile of 2-methanesulfonyl-8,10-dimethyl-6,13-dioxo-11,13-dihydro-6H-1,3,5a,11-tetraazatetraphene-12-carbonitrile
Property Insights of 2-methanesulfonyl-8,10-dimethyl-6,13-dioxo-11,13-dihydro-6H-1,3,5a,11-tetraazatetraphene-12-carbonitrile
The XLogP value of 0.97622 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methanesulfonyl-8,10-dimethyl-6,13-dioxo-11,13-dihydro-6H-1,3,5a,11-tetraazatetraphene-12-carbonitrile. The TPSA of 138.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methanesulfonyl-8,10-dimethyl-6,13-dioxo-11,13-dihydro-6H-1,3,5a,11-tetraazatetraphene-12-carbonitrile. Following Lipinski's Rule of Five, 2-methanesulfonyl-8,10-dimethyl-6,13-dioxo-11,13-dihydro-6H-1,3,5a,11-tetraazatetraphene-12-carbonitrile has 1 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 2-methanesulfonyl-8,10-dimethyl-6,13-dioxo-11,13-dihydro-6H-1,3,5a,11-tetraazatetraphene-12-carbonitrile?
The CAS number of 2-methanesulfonyl-8,10-dimethyl-6,13-dioxo-11,13-dihydro-6H-1,3,5a,11-tetraazatetraphene-12-carbonitrile is 328033-52-9.
What is the molecular formula of 2-methanesulfonyl-8,10-dimethyl-6,13-dioxo-11,13-dihydro-6H-1,3,5a,11-tetraazatetraphene-12-carbonitrile?
The molecular formula of 2-methanesulfonyl-8,10-dimethyl-6,13-dioxo-11,13-dihydro-6H-1,3,5a,11-tetraazatetraphene-12-carbonitrile is C18H13N5O4S.
What is the molecular weight of 2-methanesulfonyl-8,10-dimethyl-6,13-dioxo-11,13-dihydro-6H-1,3,5a,11-tetraazatetraphene-12-carbonitrile?
The molecular weight of 2-methanesulfonyl-8,10-dimethyl-6,13-dioxo-11,13-dihydro-6H-1,3,5a,11-tetraazatetraphene-12-carbonitrile is 395.07 g/mol.
Where can I buy 2-methanesulfonyl-8,10-dimethyl-6,13-dioxo-11,13-dihydro-6H-1,3,5a,11-tetraazatetraphene-12-carbonitrile?
You can request a quote for 2-methanesulfonyl-8,10-dimethyl-6,13-dioxo-11,13-dihydro-6H-1,3,5a,11-tetraazatetraphene-12-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methanesulfonyl-8,10-dimethyl-6,13-dioxo-11,13-dihydro-6H-1,3,5a,11-tetraazatetraphene-12-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-methanesulfonyl-8,10-dimethyl-6,13-dioxo-11,13-dihydro-6H-1,3,5a,11-tetraazatetraphene-12-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.