(3S)-Boc-3-amino-4-phenyl-2-butanone
TL;DR: (3S)-Boc-3-amino-4-phenyl-2-butanone (CAS 85613-64-5) is a chemical compound with molecular formula C15H21NO3 and molecular weight 263.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(2S)-3-oxo-1-phenylbutan-2-yl]carbamate
Also Known As: BOC-FMK, Boc-Fmk(3S)-OH, (3S)-BOC-3-AMINO-4-PHENYL-2-BUTANONE, Boc-(3S)-3-amino-4-phenyl-2-butanone, 4280AH
| Molecular Formula | C15H21NO3 |
|---|---|
| Molecular Weight | 263.15 g/mol |
| LogP | 2.7114 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.15213 |
| Heavy Atoms | 19 |
| Complexity | 434.45395 |
Chemical Identifiers
| CAS Number | 85613-64-5 |
|---|---|
| SMILES | CC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OC(C)(C)C |
Product Overview
(3S)-Boc-3-amino-4-phenyl-2-butanone (CAS 85613-64-5), with molecular formula C15H21NO3 and molecular weight 263.15 g/mol. IUPAC: tert-butyl N-[(2S)-3-oxo-1-phenylbutan-2-yl]carbamate.
Chemical Property Profile of (3S)-Boc-3-amino-4-phenyl-2-butanone
Property Insights of (3S)-Boc-3-amino-4-phenyl-2-butanone
The XLogP value of 2.7114 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S)-Boc-3-amino-4-phenyl-2-butanone. With a topological polar surface area (TPSA) of 55.4 Ų, (3S)-Boc-3-amino-4-phenyl-2-butanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3S)-Boc-3-amino-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)-Boc-3-amino-4-phenyl-2-butanone?
The CAS number of (3S)-Boc-3-amino-4-phenyl-2-butanone is 85613-64-5.
What is the molecular formula of (3S)-Boc-3-amino-4-phenyl-2-butanone?
The molecular formula of (3S)-Boc-3-amino-4-phenyl-2-butanone is C15H21NO3.
What is the molecular weight of (3S)-Boc-3-amino-4-phenyl-2-butanone?
The molecular weight of (3S)-Boc-3-amino-4-phenyl-2-butanone is 263.15 g/mol.
Where can I buy (3S)-Boc-3-amino-4-phenyl-2-butanone?
You can request a quote for (3S)-Boc-3-amino-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)-Boc-3-amino-4-phenyl-2-butanone?
Yes, KEHONG BIO provides custom synthesis services for (3S)-Boc-3-amino-4-phenyl-2-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.