Dimethyl((3S)-4-phenyl-3-(Boc-amino)-2-oxobutyl)phosphonate
TL;DR: Dimethyl((3S)-4-phenyl-3-(Boc-amino)-2-oxobutyl)phosphonate (CAS 176504-90-8) is a chemical compound with molecular formula C17H26NO6P and molecular weight 371.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(2S)-4-dimethoxyphosphoryl-3-oxo-1-phenylbutan-2-yl]carbamate
Also Known As: Dimethyl((3S)-4-phenyl-3-(Boc-amino)-2-oxobutyl)phosphonate, N,N-Dimethylcarbamoyl chloride, 6615AH, K-5421, tert-butyl N-[(2S)-4-dimethoxyphosphoryl-3-oxo-1-phenylbutan-2-yl]carbamate
| Molecular Formula | C17H26NO6P |
|---|---|
| Molecular Weight | 371.15 g/mol |
| LogP | 3.1774 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 371.14978 |
| Heavy Atoms | 25 |
| Complexity | 617.77527 |
Chemical Identifiers
| CAS Number | 176504-90-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)CP(=O)(OC)OC |
Product Overview
Dimethyl((3S)-4-phenyl-3-(Boc-amino)-2-oxobutyl)phosphonate (CAS 176504-90-8), with molecular formula C17H26NO6P and molecular weight 371.15 g/mol. IUPAC: tert-butyl N-[(2S)-4-dimethoxyphosphoryl-3-oxo-1-phenylbutan-2-yl]carbamate.
Chemical Property Profile of Dimethyl((3S)-4-phenyl-3-(Boc-amino)-2-oxobutyl)phosphonate
Property Insights of Dimethyl((3S)-4-phenyl-3-(Boc-amino)-2-oxobutyl)phosphonate
The XLogP value of 3.1774 indicates that Dimethyl((3S)-4-phenyl-3-(Boc-amino)-2-oxobutyl)phosphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.93 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl((3S)-4-phenyl-3-(Boc-amino)-2-oxobutyl)phosphonate. Following Lipinski's Rule of Five, Dimethyl((3S)-4-phenyl-3-(Boc-amino)-2-oxobutyl)phosphonate has 1 hydrogen bond donor(s) and 6 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 Dimethyl((3S)-4-phenyl-3-(Boc-amino)-2-oxobutyl)phosphonate?
The CAS number of Dimethyl((3S)-4-phenyl-3-(Boc-amino)-2-oxobutyl)phosphonate is 176504-90-8.
What is the molecular formula of Dimethyl((3S)-4-phenyl-3-(Boc-amino)-2-oxobutyl)phosphonate?
The molecular formula of Dimethyl((3S)-4-phenyl-3-(Boc-amino)-2-oxobutyl)phosphonate is C17H26NO6P.
What is the molecular weight of Dimethyl((3S)-4-phenyl-3-(Boc-amino)-2-oxobutyl)phosphonate?
The molecular weight of Dimethyl((3S)-4-phenyl-3-(Boc-amino)-2-oxobutyl)phosphonate is 371.15 g/mol.
Where can I buy Dimethyl((3S)-4-phenyl-3-(Boc-amino)-2-oxobutyl)phosphonate?
You can request a quote for Dimethyl((3S)-4-phenyl-3-(Boc-amino)-2-oxobutyl)phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl((3S)-4-phenyl-3-(Boc-amino)-2-oxobutyl)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl((3S)-4-phenyl-3-(Boc-amino)-2-oxobutyl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.