2,10-diaza-5,5-dimethyl-9-(2-(3-methylphenoxy)-5-nitrophenyl)tricyclo[9.4.0.0<3,8>]pentadeca-1(15),3(8),11(12),13-tetraen-7-one
TL;DR: 2,10-diaza-5,5-dimethyl-9-(2-(3-methylphenoxy)-5-nitrophenyl)tricyclo[9.4.0.0<3,8>]pentadeca-1(15),3(8),11(12),13-tetraen-7-one (CAS 1024154-43-5) is a chemical compound with molecular formula C28H27N3O4 and molecular weight 469.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,9-dimethyl-6-[2-(3-methylphenoxy)-5-nitrophenyl]-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: 2,10-diaza-5,5-dimethyl-9-(2-(3-methylphenoxy)-5-nitrophenyl)tricyclo[9.4.0.0<3,8>]pentadeca-1(15),3(8),11(12),13-tetraen-7-one, 9,9-dimethyl-6-[2-(3-methylphenoxy)-5-nitrophenyl]-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one, 14,14-dimethyl-10-[2-(3-methylphenoxy)-5-nitrophenyl]-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7-tetraen-12-one, 9,9-dimethyl-6-[2-(3-methylphenoxy)-5-nitro-phenyl]-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C28H27N3O4 |
|---|---|
| Molecular Weight | 469.20 g/mol |
| LogP | 6.91742 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 469.20016 |
| Heavy Atoms | 35 |
| Complexity | 1376.1202 |
Chemical Identifiers
| CAS Number | 1024154-43-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])C3C4=C(CC(CC4=O)(C)C)NC5=CC=CC=C5N3 |
Product Overview
2,10-diaza-5,5-dimethyl-9-(2-(3-methylphenoxy)-5-nitrophenyl)tricyclo[9.4.0.0<3,8>]pentadeca-1(15),3(8),11(12),13-tetraen-7-one (CAS 1024154-43-5), with molecular formula C28H27N3O4 and molecular weight 469.20 g/mol. IUPAC: 9,9-dimethyl-6-[2-(3-methylphenoxy)-5-nitrophenyl]-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of 2,10-diaza-5,5-dimethyl-9-(2-(3-methylphenoxy)-5-nitrophenyl)tricyclo[9.4.0.0<3,8>]pentadeca-1(15),3(8),11(12),13-tetraen-7-one
Property Insights of 2,10-diaza-5,5-dimethyl-9-(2-(3-methylphenoxy)-5-nitrophenyl)tricyclo[9.4.0.0<3,8>]pentadeca-1(15),3(8),11(12),13-tetraen-7-one
The XLogP value of 6.91742 indicates that 2,10-diaza-5,5-dimethyl-9-(2-(3-methylphenoxy)-5-nitrophenyl)tricyclo[9.4.0.0<3,8>]pentadeca-1(15),3(8),11(12),13-tetraen-7-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,10-diaza-5,5-dimethyl-9-(2-(3-methylphenoxy)-5-nitrophenyl)tricyclo[9.4.0.0<3,8>]pentadeca-1(15),3(8),11(12),13-tetraen-7-one. Following Lipinski's Rule of Five, 2,10-diaza-5,5-dimethyl-9-(2-(3-methylphenoxy)-5-nitrophenyl)tricyclo[9.4.0.0<3,8>]pentadeca-1(15),3(8),11(12),13-tetraen-7-one has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,10-diaza-5,5-dimethyl-9-(2-(3-methylphenoxy)-5-nitrophenyl)tricyclo[9.4.0.0<3,8>]pentadeca-1(15),3(8),11(12),13-tetraen-7-one?
The CAS number of 2,10-diaza-5,5-dimethyl-9-(2-(3-methylphenoxy)-5-nitrophenyl)tricyclo[9.4.0.0<3,8>]pentadeca-1(15),3(8),11(12),13-tetraen-7-one is 1024154-43-5.
What is the molecular formula of 2,10-diaza-5,5-dimethyl-9-(2-(3-methylphenoxy)-5-nitrophenyl)tricyclo[9.4.0.0<3,8>]pentadeca-1(15),3(8),11(12),13-tetraen-7-one?
The molecular formula of 2,10-diaza-5,5-dimethyl-9-(2-(3-methylphenoxy)-5-nitrophenyl)tricyclo[9.4.0.0<3,8>]pentadeca-1(15),3(8),11(12),13-tetraen-7-one is C28H27N3O4.
What is the molecular weight of 2,10-diaza-5,5-dimethyl-9-(2-(3-methylphenoxy)-5-nitrophenyl)tricyclo[9.4.0.0<3,8>]pentadeca-1(15),3(8),11(12),13-tetraen-7-one?
The molecular weight of 2,10-diaza-5,5-dimethyl-9-(2-(3-methylphenoxy)-5-nitrophenyl)tricyclo[9.4.0.0<3,8>]pentadeca-1(15),3(8),11(12),13-tetraen-7-one is 469.20 g/mol.
Where can I buy 2,10-diaza-5,5-dimethyl-9-(2-(3-methylphenoxy)-5-nitrophenyl)tricyclo[9.4.0.0<3,8>]pentadeca-1(15),3(8),11(12),13-tetraen-7-one?
You can request a quote for 2,10-diaza-5,5-dimethyl-9-(2-(3-methylphenoxy)-5-nitrophenyl)tricyclo[9.4.0.0<3,8>]pentadeca-1(15),3(8),11(12),13-tetraen-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,10-diaza-5,5-dimethyl-9-(2-(3-methylphenoxy)-5-nitrophenyl)tricyclo[9.4.0.0<3,8>]pentadeca-1(15),3(8),11(12),13-tetraen-7-one?
Yes, KEHONG BIO provides custom synthesis services for 2,10-diaza-5,5-dimethyl-9-(2-(3-methylphenoxy)-5-nitrophenyl)tricyclo[9.4.0.0<3,8>]pentadeca-1(15),3(8),11(12),13-tetraen-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.