Ro 16-6491
TL;DR: Ro 16-6491 (CAS 87235-61-8) is a chemical compound with molecular formula C9H11ClN2O and molecular weight 198.05598 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-aminoethyl)-4-chlorobenzamide
N-(2-aminoethyl)-4-chlorobenzamide
Also Known As: N-(2-aminoethyl)-4-chlorobenzamide, Lopac-R-106, Spectrum2_001968, Spectrum3_001603, Spectrum4_000880
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H11ClN2O |
| Molecular Weight | 198.05598 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.05598 Da |
| Heavy Atoms | 13 |
| Complexity | 167.0 |
| SMILES | C1=CC(=CC=C1C(=O)NCCN)Cl |
| InChIKey | AIHKMGLJGLKLSI-UHFFFAOYSA-N |
Product Description
Applications: Ro 16-6491 is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Ro 16-6491 (CAS 87235-61-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Ro 16-6491 (CAS 87235-61-8) is a pharmaceutical intermediate with the molecular formula C9H11ClN2O and a molecular weight of 198.06 g/mol. It is also known as N-(2-aminoethyl)-4-chlorobenzamide and Spectrum_000099.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Ro 16-6491
Property Insights of Ro 16-6491
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ro 16-6491. With a topological polar surface area (TPSA) of 55.1 Ų, Ro 16-6491 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ro 16-6491 has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ro 16-6491?
The CAS number of Ro 16-6491 is 87235-61-8.
What is the molecular formula of Ro 16-6491?
The molecular formula of Ro 16-6491 is C9H11ClN2O.
What is the molecular weight of Ro 16-6491?
The molecular weight of Ro 16-6491 is 198.05598 g/mol.
What are the applications of Ro 16-6491?
Ro 16-6491 is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Ro 16-6491 (CAS 87235-61-8) with custom...
Where can I buy Ro 16-6491?
You can request a quote for Ro 16-6491 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ro 16-6491?
Yes, CoreyChem provides custom synthesis services for Ro 16-6491 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.