Ro 48-6791
TL;DR: Ro 48-6791 (CAS 172407-17-9) is a chemical compound with molecular formula C21H25FN6O2 and molecular weight 412.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-[(dipropylamino)methyl]-1,2,4-oxadiazol-3-yl]-8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
Also Known As: Ro 48-6791, Ro-48-6791, Ro48-6791, 3-[5-[(dipropylamino)methyl]-1,2,4-oxadiazol-3-yl]-8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one, SID:134222191
| Molecular Formula | C21H25FN6O2 |
|---|---|
| Molecular Weight | 412.20 g/mol |
| LogP | 3.269 |
| Topological Polar Surface Area | 80.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 412.2023 |
| Heavy Atoms | 30 |
| Complexity | 1053.7014 |
Chemical Identifiers
| CAS Number | 172407-17-9 |
|---|---|
| SMILES | CCCN(CCC)CC1=NC(=NO1)C2=C3CN(C(=O)C4=C(N3C=N2)C=CC(=C4)F)C |
Product Overview
Ro 48-6791 (CAS 172407-17-9), with molecular formula C21H25FN6O2 and molecular weight 412.20 g/mol. IUPAC: 3-[5-[(dipropylamino)methyl]-1,2,4-oxadiazol-3-yl]-8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one.
Chemical Property Profile of Ro 48-6791
Property Insights of Ro 48-6791
The XLogP value of 3.269 indicates that Ro 48-6791 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.29 Ų falls within the moderate polarity range, balancing permeability and solubility for Ro 48-6791. Following Lipinski's Rule of Five, Ro 48-6791 has 0 hydrogen bond donor(s) and 6 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 Ro 48-6791?
The CAS number of Ro 48-6791 is 172407-17-9.
What is the molecular formula of Ro 48-6791?
The molecular formula of Ro 48-6791 is C21H25FN6O2.
What is the molecular weight of Ro 48-6791?
The molecular weight of Ro 48-6791 is 412.20 g/mol.
Where can I buy Ro 48-6791?
You can request a quote for Ro 48-6791 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ro 48-6791?
Yes, KEHONG BIO provides custom synthesis services for Ro 48-6791 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.