3-Amino-1-(4-chlorophenyl)propan-1-one
TL;DR: 3-Amino-1-(4-chlorophenyl)propan-1-one (CAS 5442-48-8) is a chemical compound with molecular formula C9H10ClNO and molecular weight 183.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-1-(4-chlorophenyl)propan-1-one
Also Known As: 3-amino-1-(4-chlorophenyl)propan-1-one, 2-(p- Chlorbenzoyl)-ethylamin, beta-Amino-4 -chloropropiophenone, 1-(4-Chlorophenyl)-3-amino-1-propanone, 1-propanone, 3-amino-1-(4-chlorophenyl)-
| Molecular Formula | C9H10ClNO |
|---|---|
| Molecular Weight | 183.05 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 183.04509 |
| Heavy Atoms | 12 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 5442-48-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)CCN)Cl |
| InChIKey | UPMSXYUQAGTNJD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Amino-1-(4-chlorophenyl)propan-1-one (CAS 5442-48-8), with molecular formula C9H10ClNO and molecular weight 183.05 g/mol. IUPAC: 3-amino-1-(4-chlorophenyl)propan-1-one.
Chemical Property Profile of 3-Amino-1-(4-chlorophenyl)propan-1-one
Property Insights of 3-Amino-1-(4-chlorophenyl)propan-1-one
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-1-(4-chlorophenyl)propan-1-one. With a topological polar surface area (TPSA) of 43.1 Ų, 3-Amino-1-(4-chlorophenyl)propan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Amino-1-(4-chlorophenyl)propan-1-one has 1 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-Amino-1-(4-chlorophenyl)propan-1-one?
The CAS number of 3-Amino-1-(4-chlorophenyl)propan-1-one is 5442-48-8.
What is the molecular formula of 3-Amino-1-(4-chlorophenyl)propan-1-one?
The molecular formula of 3-Amino-1-(4-chlorophenyl)propan-1-one is C9H10ClNO.
What is the molecular weight of 3-Amino-1-(4-chlorophenyl)propan-1-one?
The molecular weight of 3-Amino-1-(4-chlorophenyl)propan-1-one is 183.05 g/mol.
Where can I buy 3-Amino-1-(4-chlorophenyl)propan-1-one?
You can request a quote for 3-Amino-1-(4-chlorophenyl)propan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-1-(4-chlorophenyl)propan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-1-(4-chlorophenyl)propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.