Ro-20-7736
TL;DR: Ro-20-7736 (CAS 55894-87-6) is a chemical compound with molecular formula C16H14FN3O2 and molecular weight 299.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-fluorophenyl)-7-(hydroxyamino)-1-methyl-3H-1,4-benzodiazepin-2-one
Also Known As: Ro-20-7736, 2-Isopropyl-2,3-dimethylbutyronitrile, 2H-1,4-Benzodiazepin-2-one, 5-(2-fluorophenyl)-1,3-dihydro-7-(hydroxyamino)-1-methyl-, 5-(2-Fluorophenyl)-1,3-dihydro-7-(hydroxyamino)-1-methyl-2H-1,4-benzodiazepin-2-one, 5-(2-fluorophenyl)-7-(hydroxyamino)-1-methyl-3H-1,4-benzodiazepin-2-one
| Molecular Formula | C16H14FN3O2 |
|---|---|
| Molecular Weight | 299.11 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 64.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 299.107 |
| Heavy Atoms | 22 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 55894-87-6 |
|---|---|
| SMILES | CN1C(=O)CN=C(C2=C1C=CC(=C2)NO)C3=CC=CC=C3F |
| InChIKey | DJXHGKUTLGXQTG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ro-20-7736 (CAS 55894-87-6), with molecular formula C16H14FN3O2 and molecular weight 299.11 g/mol. IUPAC: 5-(2-fluorophenyl)-7-(hydroxyamino)-1-methyl-3H-1,4-benzodiazepin-2-one.
Chemical Property Profile of Ro-20-7736
Property Insights of Ro-20-7736
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ro-20-7736. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ro-20-7736. Following Lipinski's Rule of Five, Ro-20-7736 has 2 hydrogen bond donor(s) and 5 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-20-7736?
The CAS number of Ro-20-7736 is 55894-87-6.
What is the molecular formula of Ro-20-7736?
The molecular formula of Ro-20-7736 is C16H14FN3O2.
What is the molecular weight of Ro-20-7736?
The molecular weight of Ro-20-7736 is 299.11 g/mol.
Where can I buy Ro-20-7736?
You can request a quote for Ro-20-7736 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ro-20-7736?
Yes, KEHONG BIO provides custom synthesis services for Ro-20-7736 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.