N-(2-氨基乙基)-4-氯苯甲酰胺
TL;DR: N-(2-氨基乙基)-4-氯苯甲酰胺 (CAS 87235-61-8) is a chemical compound with molecular formula C9H11ClN2O and molecular weight 198.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-氨基乙基)-4-氯苯甲酰胺
N-(2-aminoethyl)-4-chlorobenzamide
Also Known As: N-(2-aminoethyl)-4-chlorobenzamide, Lopac-R-106, Spectrum2_001968, Spectrum3_001603, Spectrum4_000880
| Molecular Formula | C9H11ClN2O |
|---|---|
| Molecular Weight | 198.06 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.05598 |
| Heavy Atoms | 13 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 87235-61-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NCCN)Cl |
| InChIKey | AIHKMGLJGLKLSI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2-氨基乙基)-4-氯苯甲酰胺 (CAS 87235-61-8), with molecular formula C9H11ClN2O and molecular weight 198.06 g/mol. IUPAC: N-(2-aminoethyl)-4-chlorobenzamide.
Chemical Property Profile of N-(2-氨基乙基)-4-氯苯甲酰胺
Property Insights of N-(2-氨基乙基)-4-氯苯甲酰胺
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-氨基乙基)-4-氯苯甲酰胺. With a topological polar surface area (TPSA) of 55.1 Ų, N-(2-氨基乙基)-4-氯苯甲酰胺 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
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 198.06 g/mol.
Where can I buy Ro 16-6491?
You can request a quote for Ro 16-6491 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ro 16-6491?
Yes, KEHONG BIO provides custom synthesis services for Ro 16-6491 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.