N4-(4-Bromophenyl)-N2-(3-hydroxypropyl)-L-asparagine
TL;DR: N4-(4-Bromophenyl)-N2-(3-hydroxypropyl)-L-asparagine (CAS 1047683-36-2) is a chemical compound with molecular formula C13H17BrN2O4 and molecular weight 344.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-4-(4-bromoanilino)-2-(3-hydroxypropylamino)-4-oxobutanoic acid
Also Known As: N4-(4-Bromophenyl)-N2-(3-hydroxypropyl)-L-asparagine, (2R)-3-[(4-bromophenyl)carbamoyl]-2-(3-hydroxypropylamino)propanoic Acid, (2S)-4-(4-bromoanilino)-2-(3-hydroxypropylamino)-4-oxobutanoic acid
| Molecular Formula | C13H17BrN2O4 |
|---|---|
| Molecular Weight | 344.04 g/mol |
| LogP | 1.2029 |
| Topological Polar Surface Area | 98.66 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 344.03717 |
| Heavy Atoms | 20 |
| Complexity | 450.1893 |
Chemical Identifiers
| CAS Number | 1047683-36-2 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)C[C@@H](C(=O)O)NCCCO)Br |
Product Overview
N4-(4-Bromophenyl)-N2-(3-hydroxypropyl)-L-asparagine (CAS 1047683-36-2), with molecular formula C13H17BrN2O4 and molecular weight 344.04 g/mol. IUPAC: (2S)-4-(4-bromoanilino)-2-(3-hydroxypropylamino)-4-oxobutanoic acid.
Chemical Property Profile of N4-(4-Bromophenyl)-N2-(3-hydroxypropyl)-L-asparagine
Property Insights of N4-(4-Bromophenyl)-N2-(3-hydroxypropyl)-L-asparagine
The XLogP value of 1.2029 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N4-(4-Bromophenyl)-N2-(3-hydroxypropyl)-L-asparagine. The TPSA of 98.66 Ų falls within the moderate polarity range, balancing permeability and solubility for N4-(4-Bromophenyl)-N2-(3-hydroxypropyl)-L-asparagine. Following Lipinski's Rule of Five, N4-(4-Bromophenyl)-N2-(3-hydroxypropyl)-L-asparagine has 4 hydrogen bond donor(s) and 4 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 N4-(4-Bromophenyl)-N2-(3-hydroxypropyl)-L-asparagine?
The CAS number of N4-(4-Bromophenyl)-N2-(3-hydroxypropyl)-L-asparagine is 1047683-36-2.
What is the molecular formula of N4-(4-Bromophenyl)-N2-(3-hydroxypropyl)-L-asparagine?
The molecular formula of N4-(4-Bromophenyl)-N2-(3-hydroxypropyl)-L-asparagine is C13H17BrN2O4.
What is the molecular weight of N4-(4-Bromophenyl)-N2-(3-hydroxypropyl)-L-asparagine?
The molecular weight of N4-(4-Bromophenyl)-N2-(3-hydroxypropyl)-L-asparagine is 344.04 g/mol.
Where can I buy N4-(4-Bromophenyl)-N2-(3-hydroxypropyl)-L-asparagine?
You can request a quote for N4-(4-Bromophenyl)-N2-(3-hydroxypropyl)-L-asparagine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N4-(4-Bromophenyl)-N2-(3-hydroxypropyl)-L-asparagine?
Yes, KEHONG BIO provides custom synthesis services for N4-(4-Bromophenyl)-N2-(3-hydroxypropyl)-L-asparagine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.