(3S)-3-Benzyloxycarbonylamino-1-chloro-4-phenyl-2-butanone
TL;DR: (3S)-3-Benzyloxycarbonylamino-1-chloro-4-phenyl-2-butanone (CAS 26049-94-5) is a chemical compound with molecular formula C18H18ClNO3 and molecular weight 331.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]carbamate
Also Known As: ZPCK, Z-L-Phe chloromethyl ketone, Z-Phe-chloromethylketone, Z-Phe-CMK, Z-L-Phe-Chloromethane
| Molecular Formula | C18H18ClNO3 |
|---|---|
| Molecular Weight | 331.10 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 331.09753 |
| Heavy Atoms | 23 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 26049-94-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[C@@H](C(=O)CCl)NC(=O)OCC2=CC=CC=C2 |
| InChIKey | OYHLRJGDELITAF-INIZCTEOSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3S)-3-Benzyloxycarbonylamino-1-chloro-4-phenyl-2-butanone (CAS 26049-94-5), with molecular formula C18H18ClNO3 and molecular weight 331.10 g/mol. IUPAC: benzyl N-[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]carbamate.
Chemical Property Profile of (3S)-3-Benzyloxycarbonylamino-1-chloro-4-phenyl-2-butanone
Property Insights of (3S)-3-Benzyloxycarbonylamino-1-chloro-4-phenyl-2-butanone
The XLogP value of 3.8 indicates that (3S)-3-Benzyloxycarbonylamino-1-chloro-4-phenyl-2-butanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, (3S)-3-Benzyloxycarbonylamino-1-chloro-4-phenyl-2-butanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3S)-3-Benzyloxycarbonylamino-1-chloro-4-phenyl-2-butanone has 1 hydrogen bond donor(s) and 3 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 (3S)-3-Benzyloxycarbonylamino-1-chloro-4-phenyl-2-butanone?
The CAS number of (3S)-3-Benzyloxycarbonylamino-1-chloro-4-phenyl-2-butanone is 26049-94-5.
What is the molecular formula of (3S)-3-Benzyloxycarbonylamino-1-chloro-4-phenyl-2-butanone?
The molecular formula of (3S)-3-Benzyloxycarbonylamino-1-chloro-4-phenyl-2-butanone is C18H18ClNO3.
What is the molecular weight of (3S)-3-Benzyloxycarbonylamino-1-chloro-4-phenyl-2-butanone?
The molecular weight of (3S)-3-Benzyloxycarbonylamino-1-chloro-4-phenyl-2-butanone is 331.10 g/mol.
Where can I buy (3S)-3-Benzyloxycarbonylamino-1-chloro-4-phenyl-2-butanone?
You can request a quote for (3S)-3-Benzyloxycarbonylamino-1-chloro-4-phenyl-2-butanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S)-3-Benzyloxycarbonylamino-1-chloro-4-phenyl-2-butanone?
Yes, KEHONG BIO provides custom synthesis services for (3S)-3-Benzyloxycarbonylamino-1-chloro-4-phenyl-2-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.