![14,14-dimethyl-10-[5-nitro-2-(pyridin-2-ylsulfanyl)phenyl]-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7-tetraen-12-one structure](/static/products/1024/1024264-29-6.webp)
14,14-dimethyl-10-[5-nitro-2-(pyridin-2-ylsulfanyl)phenyl]-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7-tetraen-12-one
TL;DR: 14,14-dimethyl-10-[5-nitro-2-(pyridin-2-ylsulfanyl)phenyl]-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7-tetraen-12-one (CAS 1024264-29-6) is a chemical compound with molecular formula C26H24N4O3S and molecular weight 472.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,9-dimethyl-6-(5-nitro-2-pyridin-2-ylsulfanylphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: 14,14-dimethyl-10-[5-nitro-2-(pyridin-2-ylsulfanyl)phenyl]-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7-tetraen-12-one, 9,9-dimethyl-6-(5-nitro-2-pyridin-2-ylsulfanylphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one, 2,10-Diaza-5,5-dimethyl-9-(5-nitro-2-(2-pyridylthio)phenyl)tricyclo[9.4.0.0<3,8>]pentadeca-1(15),3(8),11(12),13-tetraen-7-one, 3,3-dimethyl-11-[5-nitro-2-(2-pyridinylsulfanyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 9,9-dimethyl-6-[5-nitro-2-(2-pyridylsulfanyl)phenyl]-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C26H24N4O3S |
|---|---|
| Molecular Weight | 472.16 g/mol |
| LogP | 6.3629 |
| Topological Polar Surface Area | 97.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 472.15692 |
| Heavy Atoms | 34 |
| Complexity | 1320.6309 |
Chemical Identifiers
| CAS Number | 1024264-29-6 |
|---|---|
| SMILES | CC1(CC2=C(C(NC3=CC=CC=C3N2)C4=C(C=CC(=C4)[N+](=O)[O-])SC5=CC=CC=N5)C(=O)C1)C |
Product Overview
14,14-dimethyl-10-[5-nitro-2-(pyridin-2-ylsulfanyl)phenyl]-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7-tetraen-12-one (CAS 1024264-29-6), with molecular formula C26H24N4O3S and molecular weight 472.16 g/mol. IUPAC: 9,9-dimethyl-6-(5-nitro-2-pyridin-2-ylsulfanylphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of 14,14-dimethyl-10-[5-nitro-2-(pyridin-2-ylsulfanyl)phenyl]-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7-tetraen-12-one
Property Insights of 14,14-dimethyl-10-[5-nitro-2-(pyridin-2-ylsulfanyl)phenyl]-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7-tetraen-12-one
The XLogP value of 6.3629 indicates that 14,14-dimethyl-10-[5-nitro-2-(pyridin-2-ylsulfanyl)phenyl]-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7-tetraen-12-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 14,14-dimethyl-10-[5-nitro-2-(pyridin-2-ylsulfanyl)phenyl]-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7-tetraen-12-one. Following Lipinski's Rule of Five, 14,14-dimethyl-10-[5-nitro-2-(pyridin-2-ylsulfanyl)phenyl]-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7-tetraen-12-one has 2 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 14,14-dimethyl-10-[5-nitro-2-(pyridin-2-ylsulfanyl)phenyl]-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7-tetraen-12-one?
The CAS number of 14,14-dimethyl-10-[5-nitro-2-(pyridin-2-ylsulfanyl)phenyl]-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7-tetraen-12-one is 1024264-29-6.
What is the molecular formula of 14,14-dimethyl-10-[5-nitro-2-(pyridin-2-ylsulfanyl)phenyl]-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7-tetraen-12-one?
The molecular formula of 14,14-dimethyl-10-[5-nitro-2-(pyridin-2-ylsulfanyl)phenyl]-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7-tetraen-12-one is C26H24N4O3S.
What is the molecular weight of 14,14-dimethyl-10-[5-nitro-2-(pyridin-2-ylsulfanyl)phenyl]-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7-tetraen-12-one?
The molecular weight of 14,14-dimethyl-10-[5-nitro-2-(pyridin-2-ylsulfanyl)phenyl]-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7-tetraen-12-one is 472.16 g/mol.
Where can I buy 14,14-dimethyl-10-[5-nitro-2-(pyridin-2-ylsulfanyl)phenyl]-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7-tetraen-12-one?
You can request a quote for 14,14-dimethyl-10-[5-nitro-2-(pyridin-2-ylsulfanyl)phenyl]-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7-tetraen-12-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 14,14-dimethyl-10-[5-nitro-2-(pyridin-2-ylsulfanyl)phenyl]-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7-tetraen-12-one?
Yes, KEHONG BIO provides custom synthesis services for 14,14-dimethyl-10-[5-nitro-2-(pyridin-2-ylsulfanyl)phenyl]-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7-tetraen-12-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.