3-Amino-1-chloro-4-phenylbutan-2-one
TL;DR: 3-Amino-1-chloro-4-phenylbutan-2-one (CAS 25487-45-0) is a chemical compound with molecular formula C10H12ClNO and molecular weight 197.06075 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-amino-1-chloro-4-phenylbutan-2-one
Also Known As: L-Phe-CMK, L-Phe-Chloromethylketone, L-F-CMK, PHENYLALANYLMETHYLCHLORIDE, 3-amino-1-chloro-4-phenylbutan-2-one
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H12ClNO |
| Molecular Weight | 197.06075 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 43.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 197.06075 Da |
| Heavy Atoms | 13 |
| Complexity | 166.0 |
| SMILES | C1=CC=C(C=C1)CC(C(=O)CCl)N |
| InChIKey | CNNSBPMDYXZFTQ-UHFFFAOYSA-N |
Product Description
Applications: 3-Amino-1-chloro-4-phenylbutan-2-one is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3-Amino-1-chloro-4-phenylbutan-2-one (CAS 25487-45-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, 3-Amino-1-chloro-4-phenylbutan-2-one (CAS 25487-45-0) has the molecular formula C10H12ClNO and a molecular weight of 197.06 g/mol. It is also known as L-Phe-CMK and L-Phe-Chloromethylketone.
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 3-Amino-1-chloro-4-phenylbutan-2-one
Property Insights of 3-Amino-1-chloro-4-phenylbutan-2-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-1-chloro-4-phenylbutan-2-one. With a topological polar surface area (TPSA) of 43.1 Ų, 3-Amino-1-chloro-4-phenylbutan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Amino-1-chloro-4-phenylbutan-2-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
What is the CAS number of 3-Amino-1-chloro-4-phenylbutan-2-one?
The CAS number of 3-Amino-1-chloro-4-phenylbutan-2-one is 25487-45-0.
What is the molecular formula of 3-Amino-1-chloro-4-phenylbutan-2-one?
The molecular formula of 3-Amino-1-chloro-4-phenylbutan-2-one is C10H12ClNO.
What is the molecular weight of 3-Amino-1-chloro-4-phenylbutan-2-one?
The molecular weight of 3-Amino-1-chloro-4-phenylbutan-2-one is 197.06075 g/mol.
What are the applications of 3-Amino-1-chloro-4-phenylbutan-2-one?
3-Amino-1-chloro-4-phenylbutan-2-one is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies...
Where can I buy 3-Amino-1-chloro-4-phenylbutan-2-one?
You can request a quote for 3-Amino-1-chloro-4-phenylbutan-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Amino-1-chloro-4-phenylbutan-2-one?
Yes, CoreyChem provides custom synthesis services for 3-Amino-1-chloro-4-phenylbutan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.