5,9,10,14b-Tetrahydro-5-methyl-2-nitroisoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one
TL;DR: 5,9,10,14b-Tetrahydro-5-methyl-2-nitroisoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one (CAS 19007-22-8) is a chemical compound with molecular formula C18H17N3O3 and molecular weight 323.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-nitro-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-6-one
Also Known As: 5,9,10,14b-Tetrahydro-5-methyl-2-nitroisoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one, Isoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one, 5,9,10,14b-tetrahydro-5-methyl-2-nitro-, 5-Methyl-2-nitro-5,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-6(7H)-one, 5-methyl-2-nitro-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-6-one, BRN 0765371
| Molecular Formula | C18H17N3O3 |
|---|---|
| Molecular Weight | 323.13 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 323.12698 |
| Heavy Atoms | 24 |
| Complexity | 520.0 |
Chemical Identifiers
| CAS Number | 19007-22-8 |
|---|---|
| SMILES | CN1C(=O)CN2CCC3=CC=CC=C3C2C4=C1C=CC(=C4)[N+](=O)[O-] |
| InChIKey | CJHSAPCTKCAXDL-UHFFFAOYSA-N |
Product Overview
5,9,10,14b-Tetrahydro-5-methyl-2-nitroisoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one (CAS 19007-22-8), with molecular formula C18H17N3O3 and molecular weight 323.13 g/mol. IUPAC: 5-methyl-2-nitro-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-6-one.
Chemical Property Profile of 5,9,10,14b-Tetrahydro-5-methyl-2-nitroisoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one
Property Insights of 5,9,10,14b-Tetrahydro-5-methyl-2-nitroisoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,9,10,14b-Tetrahydro-5-methyl-2-nitroisoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,9,10,14b-Tetrahydro-5-methyl-2-nitroisoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one. Following Lipinski's Rule of Five, 5,9,10,14b-Tetrahydro-5-methyl-2-nitroisoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one has 0 hydrogen bond donor(s) and 4 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 5,9,10,14b-Tetrahydro-5-methyl-2-nitroisoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one?
The CAS number of 5,9,10,14b-Tetrahydro-5-methyl-2-nitroisoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one is 19007-22-8.
What is the molecular formula of 5,9,10,14b-Tetrahydro-5-methyl-2-nitroisoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one?
The molecular formula of 5,9,10,14b-Tetrahydro-5-methyl-2-nitroisoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one is C18H17N3O3.
What is the molecular weight of 5,9,10,14b-Tetrahydro-5-methyl-2-nitroisoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one?
The molecular weight of 5,9,10,14b-Tetrahydro-5-methyl-2-nitroisoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one is 323.13 g/mol.
Where can I buy 5,9,10,14b-Tetrahydro-5-methyl-2-nitroisoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one?
You can request a quote for 5,9,10,14b-Tetrahydro-5-methyl-2-nitroisoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,9,10,14b-Tetrahydro-5-methyl-2-nitroisoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5,9,10,14b-Tetrahydro-5-methyl-2-nitroisoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.