RefChem:305690
TL;DR: RefChem:305690 (CAS 54971-45-8) is a chemical compound with molecular formula C25H24N2O3 and molecular weight 400.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12,13-dimethoxy-7-phenyl-7,9,10,14b-tetrahydro-5H-isoquinolino[2,1-d][1,4]benzodiazepin-6-one
Also Known As: 5H-Isoquino(2,1-d)(1,4)benzodiazepin-6-one, 7,9,10,14b-tetrahydro-12,13-dimethoxy-7-phenyl-, 12,13-Dimethoxy-7-phenyl-7,9,10-14b-tetrahydro-5H-isoquino(2,1-d)(1,4)benzodiazepin-6-one, 12,13-Dimethoxy-7-phenyl-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-6-ol, 12,13-dimethoxy-7-phenyl-7,9,10,14b-tetrahydro-5H-isoquinolino[2,1-d][1,4]benzodiazepin-6-one, 16,17-dimethoxy-10-phenyl-8,11-diazatetracyclo[9.8.0.02,7.014,19]nonadeca-2,4,6,14(19),15,17-hexaen-9-one
| Molecular Formula | C25H24N2O3 |
|---|---|
| Molecular Weight | 400.18 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 400.17868 |
| Heavy Atoms | 30 |
| Complexity | 607.0 |
Chemical Identifiers
| CAS Number | 54971-45-8 |
|---|---|
| SMILES | COC1=C(C=C2C3C4=CC=CC=C4NC(=O)C(N3CCC2=C1)C5=CC=CC=C5)OC |
| InChIKey | FSOFEJREGFIHQG-UHFFFAOYSA-N |
Product Overview
RefChem:305690 (CAS 54971-45-8), with molecular formula C25H24N2O3 and molecular weight 400.18 g/mol. IUPAC: 12,13-dimethoxy-7-phenyl-7,9,10,14b-tetrahydro-5H-isoquinolino[2,1-d][1,4]benzodiazepin-6-one.
Chemical Property Profile of RefChem:305690
Property Insights of RefChem:305690
The XLogP value of 4.1 indicates that RefChem:305690 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, RefChem:305690 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:305690 has 1 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 RefChem:305690?
The CAS number of RefChem:305690 is 54971-45-8.
What is the molecular formula of RefChem:305690?
The molecular formula of RefChem:305690 is C25H24N2O3.
What is the molecular weight of RefChem:305690?
The molecular weight of RefChem:305690 is 400.18 g/mol.
Where can I buy RefChem:305690?
You can request a quote for RefChem:305690 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:305690?
Yes, KEHONG BIO provides custom synthesis services for RefChem:305690 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.