3-苄氨基丙酰胺
TL;DR: 3-苄氨基丙酰胺 (CAS 16490-80-5) is a chemical compound with molecular formula C10H14N2O and molecular weight 178.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-苄氨基丙酰胺
3-(benzylamino)propanamide
Also Known As: 3-(benzylamino)propanamide, 3-Benzylaminopropionamide, N~3~-benzyl-beta-alaninamide, 3-(Benzylamino)propionamide, Propanamide, 3-[(phenylmethyl)amino]-
| Molecular Formula | C10H14N2O |
|---|---|
| Molecular Weight | 178.11 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 178.11061 |
| Heavy Atoms | 13 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 16490-80-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNCCC(=O)N |
| InChIKey | GGJZFUWYCGSBCO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-苄氨基丙酰胺 (CAS 16490-80-5), with molecular formula C10H14N2O and molecular weight 178.11 g/mol. IUPAC: 3-(benzylamino)propanamide.
Chemical Property Profile of 3-苄氨基丙酰胺
Property Insights of 3-苄氨基丙酰胺
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-苄氨基丙酰胺. With a topological polar surface area (TPSA) of 55.1 Ų, 3-苄氨基丙酰胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-苄氨基丙酰胺 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 3-苄氨基丙酰胺?
The CAS number of 3-苄氨基丙酰胺 is 16490-80-5.
What is the molecular formula of 3-苄氨基丙酰胺?
The molecular formula of 3-苄氨基丙酰胺 is C10H14N2O.
What is the molecular weight of 3-苄氨基丙酰胺?
The molecular weight of 3-苄氨基丙酰胺 is 178.11 g/mol.
Where can I buy 3-苄氨基丙酰胺?
You can request a quote for 3-苄氨基丙酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-苄氨基丙酰胺?
Yes, KEHONG BIO provides custom synthesis services for 3-苄氨基丙酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.