Ro 41-1049
TL;DR: Ro 41-1049 (CAS 127500-84-9) is a chemical compound with molecular formula C12H12FN3OS and molecular weight 265.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Ro 41-1049
N-(2-aminoethyl)-5-(3-fluorophenyl)-1,3-thiazole-4-carboxamide
Also Known As: N-(2-Aminoethyl)-5-(3-fluorophenyl)thiazole-4-carboxamide, Ro 41-1049, Ro 41-1049 hydrochloride, Lopac-R-107, Ro-41-1049
| Molecular Formula | C12H12FN3OS |
|---|---|
| Molecular Weight | 265.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 265.0685 |
| Heavy Atoms | 18 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 127500-84-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)C2=C(N=CS2)C(=O)NCCN |
| InChIKey | SCKBPXUWGMKLDM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ro 41-1049 (CAS 127500-84-9), with molecular formula C12H12FN3OS and molecular weight 265.07 g/mol. IUPAC: N-(2-aminoethyl)-5-(3-fluorophenyl)-1,3-thiazole-4-carboxamide.
Chemical Property Profile of Ro 41-1049
Property Insights of Ro 41-1049
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ro 41-1049. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Ro 41-1049. Following Lipinski's Rule of Five, Ro 41-1049 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 41-1049?
The CAS number of Ro 41-1049 is 127500-84-9.
What is the molecular formula of Ro 41-1049?
The molecular formula of Ro 41-1049 is C12H12FN3OS.
What is the molecular weight of Ro 41-1049?
The molecular weight of Ro 41-1049 is 265.07 g/mol.
Where can I buy Ro 41-1049?
You can request a quote for Ro 41-1049 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ro 41-1049?
Yes, KEHONG BIO provides custom synthesis services for Ro 41-1049 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.