3-氨基-1-氯-4-苯基丁烷-2-酮
TL;DR: 3-氨基-1-氯-4-苯基丁烷-2-酮 (CAS 25487-45-0) is a chemical compound with molecular formula C10H12ClNO and molecular weight 197.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-氨基-1-氯-4-苯基丁烷-2-酮
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
| Molecular Formula | C10H12ClNO |
|---|---|
| Molecular Weight | 197.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 197.06075 |
| Heavy Atoms | 13 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 25487-45-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(C(=O)CCl)N |
| InChIKey | CNNSBPMDYXZFTQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-氨基-1-氯-4-苯基丁烷-2-酮 (CAS 25487-45-0), with molecular formula C10H12ClNO and molecular weight 197.06 g/mol. IUPAC: 3-amino-1-chloro-4-phenylbutan-2-one.
Chemical Property Profile of 3-氨基-1-氯-4-苯基丁烷-2-酮
Property Insights of 3-氨基-1-氯-4-苯基丁烷-2-酮
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-氨基-1-氯-4-苯基丁烷-2-酮. With a topological polar surface area (TPSA) of 43.1 Ų, 3-氨基-1-氯-4-苯基丁烷-2-酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-氨基-1-氯-4-苯基丁烷-2-酮 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-氨基-1-氯-4-苯基丁烷-2-酮?
The CAS number of 3-氨基-1-氯-4-苯基丁烷-2-酮 is 25487-45-0.
What is the molecular formula of 3-氨基-1-氯-4-苯基丁烷-2-酮?
The molecular formula of 3-氨基-1-氯-4-苯基丁烷-2-酮 is C10H12ClNO.
What is the molecular weight of 3-氨基-1-氯-4-苯基丁烷-2-酮?
The molecular weight of 3-氨基-1-氯-4-苯基丁烷-2-酮 is 197.06 g/mol.
Where can I buy 3-氨基-1-氯-4-苯基丁烷-2-酮?
You can request a quote for 3-氨基-1-氯-4-苯基丁烷-2-酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-氨基-1-氯-4-苯基丁烷-2-酮?
Yes, KEHONG BIO provides custom synthesis services for 3-氨基-1-氯-4-苯基丁烷-2-酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.