N-(3-Bromo-1-hydroxypropylidene)-4-chlorophenylalanine
TL;DR: N-(3-Bromo-1-hydroxypropylidene)-4-chlorophenylalanine (CAS 55327-84-9) is a chemical compound with molecular formula C12H13BrClNO3 and molecular weight 332.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-bromopropanoylamino)-3-(4-chlorophenyl)propanoic acid
Also Known As: AmbscPOD_08/0647, N-(3-Bromo-1-oxopropyl)-4-chloro-DL-phenylalanine, DL-Phenylalanine, N-(3-bromo-1-oxopropyl)-4-chloro-, DL-N-(3-Bromo-1-oxopropyl)-3-(p-chlorophenyl)alanine, 2-(3-bromopropanoylamino)-3-(4-chlorophenyl)propanoic acid
| Molecular Formula | C12H13BrClNO3 |
|---|---|
| Molecular Weight | 332.98 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 332.9767 |
| Heavy Atoms | 18 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 55327-84-9 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(C(=O)O)NC(=O)CCBr)Cl |
| InChIKey | NNCMRXGHALGAMZ-UHFFFAOYSA-N |
Product Overview
N-(3-Bromo-1-hydroxypropylidene)-4-chlorophenylalanine (CAS 55327-84-9), with molecular formula C12H13BrClNO3 and molecular weight 332.98 g/mol. IUPAC: 2-(3-bromopropanoylamino)-3-(4-chlorophenyl)propanoic acid.
Chemical Property Profile of N-(3-Bromo-1-hydroxypropylidene)-4-chlorophenylalanine
Property Insights of N-(3-Bromo-1-hydroxypropylidene)-4-chlorophenylalanine
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-Bromo-1-hydroxypropylidene)-4-chlorophenylalanine. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-Bromo-1-hydroxypropylidene)-4-chlorophenylalanine. Following Lipinski's Rule of Five, N-(3-Bromo-1-hydroxypropylidene)-4-chlorophenylalanine has 2 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 N-(3-Bromo-1-hydroxypropylidene)-4-chlorophenylalanine?
The CAS number of N-(3-Bromo-1-hydroxypropylidene)-4-chlorophenylalanine is 55327-84-9.
What is the molecular formula of N-(3-Bromo-1-hydroxypropylidene)-4-chlorophenylalanine?
The molecular formula of N-(3-Bromo-1-hydroxypropylidene)-4-chlorophenylalanine is C12H13BrClNO3.
What is the molecular weight of N-(3-Bromo-1-hydroxypropylidene)-4-chlorophenylalanine?
The molecular weight of N-(3-Bromo-1-hydroxypropylidene)-4-chlorophenylalanine is 332.98 g/mol.
Where can I buy N-(3-Bromo-1-hydroxypropylidene)-4-chlorophenylalanine?
You can request a quote for N-(3-Bromo-1-hydroxypropylidene)-4-chlorophenylalanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-Bromo-1-hydroxypropylidene)-4-chlorophenylalanine?
Yes, KEHONG BIO provides custom synthesis services for N-(3-Bromo-1-hydroxypropylidene)-4-chlorophenylalanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.