Ro 7-9957
TL;DR: Ro 7-9957 (CAS 34932-78-0) is a chemical compound with molecular formula C16H12FIN2O and molecular weight 394.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-fluorophenyl)-7-iodo-1-methyl-3H-1,4-benzodiazepin-2-one
Also Known As: Ro 7-9957, Ro-7-9957, Ro-07-9957, 1,4-BENZDAZEPIN-2-ON-1ME-5(2FPH)-7I, 5-(2-fluorophenyl)-7-iodo-1-methyl-1,3-dihydro-2h-1,4-benzodiazepin-2-one
| Molecular Formula | C16H12FIN2O |
|---|---|
| Molecular Weight | 394.00 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 393.99783 |
| Heavy Atoms | 21 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 34932-78-0 |
|---|---|
| SMILES | CN1C(=O)CN=C(C2=C1C=CC(=C2)I)C3=CC=CC=C3F |
| InChIKey | WKDHPXLDPOYJMH-UHFFFAOYSA-N |
Product Overview
Ro 7-9957 (CAS 34932-78-0), with molecular formula C16H12FIN2O and molecular weight 394.00 g/mol. IUPAC: 5-(2-fluorophenyl)-7-iodo-1-methyl-3H-1,4-benzodiazepin-2-one.
Chemical Property Profile of Ro 7-9957
Property Insights of Ro 7-9957
The XLogP value of 3.1 indicates that Ro 7-9957 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.7 Ų, Ro 7-9957 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ro 7-9957 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 7-9957?
The CAS number of Ro 7-9957 is 34932-78-0.
What is the molecular formula of Ro 7-9957?
The molecular formula of Ro 7-9957 is C16H12FIN2O.
What is the molecular weight of Ro 7-9957?
The molecular weight of Ro 7-9957 is 394.00 g/mol.
Where can I buy Ro 7-9957?
You can request a quote for Ro 7-9957 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ro 7-9957?
Yes, KEHONG BIO provides custom synthesis services for Ro 7-9957 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.