Ro 5-3438
TL;DR: Ro 5-3438 (CAS 844-11-1) is a chemical compound with molecular formula C16H13FN2O and molecular weight 268.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-fluorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one
Also Known As: Ro 5-3438, Ro 05-4520, Ro-05-4520, 5-(2-Fluorophenyl)-1,3-dihydro-1-methyl-2H-1,4-benzodiazepin-2-one, 5-(2-fluorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one
| Molecular Formula | C16H13FN2O |
|---|---|
| Molecular Weight | 268.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 268.1012 |
| Heavy Atoms | 20 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 844-11-1 |
|---|---|
| SMILES | CN1C(=O)CN=C(C2=CC=CC=C21)C3=CC=CC=C3F |
| InChIKey | YVTVBCWQHDDTGB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ro 5-3438 (CAS 844-11-1), with molecular formula C16H13FN2O and molecular weight 268.10 g/mol. IUPAC: 5-(2-fluorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one.
Chemical Property Profile of Ro 5-3438
Property Insights of Ro 5-3438
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ro 5-3438. With a topological polar surface area (TPSA) of 32.7 Ų, Ro 5-3438 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ro 5-3438 has 0 hydrogen bond donor(s) and 3 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 5-3438?
The CAS number of Ro 5-3438 is 844-11-1.
What is the molecular formula of Ro 5-3438?
The molecular formula of Ro 5-3438 is C16H13FN2O.
What is the molecular weight of Ro 5-3438?
The molecular weight of Ro 5-3438 is 268.10 g/mol.
Where can I buy Ro 5-3438?
You can request a quote for Ro 5-3438 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ro 5-3438?
Yes, KEHONG BIO provides custom synthesis services for Ro 5-3438 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.