Ro 24-4736
TL;DR: Ro 24-4736 (CAS 125030-71-9) is a chemical compound with molecular formula C31H20ClN5OS and molecular weight 545.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-[7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-4-yl]prop-2-ynyl]phenanthridin-6-one
Also Known As: Ro-24-4736, Ro 24-4736, Ro 244736, ro24-4736, 5-(3-(4-(2-Chlorophenyl)-9-methyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-2-yl)-2-propynyl)phenanthridin-6(5H)-one
| Molecular Formula | C31H20ClN5OS |
|---|---|
| Molecular Weight | 545.11 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 545.1077 |
| Heavy Atoms | 39 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 125030-71-9 |
|---|---|
| SMILES | CC1=NN=C2N1C3=C(C=C(S3)C#CCN4C5=CC=CC=C5C6=CC=CC=C6C4=O)C(=NC2)C7=CC=CC=C7Cl |
| InChIKey | MPMZSZMDCRPSRF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ro 24-4736 (CAS 125030-71-9), with molecular formula C31H20ClN5OS and molecular weight 545.11 g/mol. IUPAC: 5-[3-[7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-4-yl]prop-2-ynyl]phenanthridin-6-one.
Chemical Property Profile of Ro 24-4736
Property Insights of Ro 24-4736
The XLogP value of 5.9 indicates that Ro 24-4736 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ro 24-4736. Following Lipinski's Rule of Five, Ro 24-4736 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ro 24-4736?
The CAS number of Ro 24-4736 is 125030-71-9.
What is the molecular formula of Ro 24-4736?
The molecular formula of Ro 24-4736 is C31H20ClN5OS.
What is the molecular weight of Ro 24-4736?
The molecular weight of Ro 24-4736 is 545.11 g/mol.
Where can I buy Ro 24-4736?
You can request a quote for Ro 24-4736 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ro 24-4736?
Yes, KEHONG BIO provides custom synthesis services for Ro 24-4736 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.