RefChem:349847
TL;DR: RefChem:349847 (CAS 102395-74-4) is a chemical compound with molecular formula C19H19N3O5 and molecular weight 369.13248 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
12,13-dimethoxy-10-nitro-7,9,10,14b-tetrahydro-5H-isoquinolino[2,1-d][1,4]benzodiazepin-6-one
Also Known As: 12,13-Dimethoxy-10-nitro-7,9,10,14b-tetrahydro-5H-isoquino(2,1-d)(1,4)benzodiazepin-6-one, Isoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one, 5,9,10,14b-tetrahydro-12,13-dimethoxy-10-nitro, 12,13-dimethoxy-10-nitro-5,9,10,14b-tetrahydroisoquino[2,1-d][1,4]benzodiazepin-6(7h)-one, 12,13-dimethoxy-10-nitro-7,9,10,14b-tetrahydro-5H-isoquinolino[2,1-d][1,4]benzodiazepin-6-one, 12,13-Dimethoxy-10-nitro-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-6-ol
Technical Specifications
| Molecular Formula | C19H19N3O5 |
| Molecular Weight | 369.13248 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 96.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 369.13248 Da |
| Heavy Atoms | 27 |
| Complexity | 582.0 |
| SMILES | COC1=C(C=C2C3C4=CC=CC=C4NC(=O)CN3CC(C2=C1)[N+](=O)[O-])OC |
| InChIKey | SBINZOJZCCZFNB-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:349847
Property Insights of RefChem:349847
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:349847. The TPSA of 96.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:349847. Following Lipinski's Rule of Five, RefChem:349847 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:349847?
The CAS number of RefChem:349847 is 102395-74-4.
What is the molecular formula of RefChem:349847?
The molecular formula of RefChem:349847 is C19H19N3O5.
What is the molecular weight of RefChem:349847?
The molecular weight of RefChem:349847 is 369.13248 g/mol.
Where can I buy RefChem:349847?
You can request a quote for RefChem:349847 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:349847?
Yes, CoreyChem provides custom synthesis services for RefChem:349847 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.