tert-butyl N-(1-benzyl-3-chloro-2-oxo-propyl)carbamate
TL;DR: tert-butyl N-(1-benzyl-3-chloro-2-oxo-propyl)carbamate (CAS 910642-66-9) is a chemical compound with molecular formula C15H20ClNO3 and molecular weight 297.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-(4-chloro-3-oxo-1-phenylbutan-2-yl)carbamate
Also Known As: 2-Bromo-5-chlorophenol, Boc-L-Phe chloromethyl ketone, (3S)-3-(TERT-BUTOXYCARBONYL)AMINO-1-CHLORO-4-PHENYL-2-BUTANONE, (S)-tert-Butyl (4-chloro-3-oxo-1-phenylbutan-2-yl)carbamate, (3R)-3-(N-Boc-amino)-1-chloro-4-phenyl-2-butanone
| Molecular Formula | C15H20ClNO3 |
|---|---|
| Molecular Weight | 297.11 g/mol |
| LogP | 2.9303 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 297.11316 |
| Heavy Atoms | 20 |
| Complexity | 453.93646 |
Chemical Identifiers
| CAS Number | 910642-66-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)CCl |
Product Overview
tert-butyl N-(1-benzyl-3-chloro-2-oxo-propyl)carbamate (CAS 910642-66-9), with molecular formula C15H20ClNO3 and molecular weight 297.11 g/mol. IUPAC: tert-butyl N-(4-chloro-3-oxo-1-phenylbutan-2-yl)carbamate.
Chemical Property Profile of tert-butyl N-(1-benzyl-3-chloro-2-oxo-propyl)carbamate
Property Insights of tert-butyl N-(1-benzyl-3-chloro-2-oxo-propyl)carbamate
The XLogP value of 2.9303 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl N-(1-benzyl-3-chloro-2-oxo-propyl)carbamate. With a topological polar surface area (TPSA) of 55.4 Ų, tert-butyl N-(1-benzyl-3-chloro-2-oxo-propyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-butyl N-(1-benzyl-3-chloro-2-oxo-propyl)carbamate 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 tert-butyl N-(1-benzyl-3-chloro-2-oxo-propyl)carbamate?
The CAS number of tert-butyl N-(1-benzyl-3-chloro-2-oxo-propyl)carbamate is 910642-66-9.
What is the molecular formula of tert-butyl N-(1-benzyl-3-chloro-2-oxo-propyl)carbamate?
The molecular formula of tert-butyl N-(1-benzyl-3-chloro-2-oxo-propyl)carbamate is C15H20ClNO3.
What is the molecular weight of tert-butyl N-(1-benzyl-3-chloro-2-oxo-propyl)carbamate?
The molecular weight of tert-butyl N-(1-benzyl-3-chloro-2-oxo-propyl)carbamate is 297.11 g/mol.
Where can I buy tert-butyl N-(1-benzyl-3-chloro-2-oxo-propyl)carbamate?
You can request a quote for tert-butyl N-(1-benzyl-3-chloro-2-oxo-propyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-butyl N-(1-benzyl-3-chloro-2-oxo-propyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl N-(1-benzyl-3-chloro-2-oxo-propyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.