N-(2-Bromo-3-methylbutyryl)-3-phenyl-DL-alanine
TL;DR: N-(2-Bromo-3-methylbutyryl)-3-phenyl-DL-alanine (CAS 94107-41-2) is a chemical compound with molecular formula C14H18BrNO3 and molecular weight 327.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-bromo-3-methylbutanoyl)amino]-3-phenylpropanoic acid
Also Known As: N-(2-Bromo-3-methylbutyryl)-3-phenyl-DL-alanine, EINECS 302-275-5, 2-[(2-bromo-3-methylbutanoyl)amino]-3-phenylpropanoic acid, N-(2-bromo-3-methylbutanoyl)phenylalanine, N-(2-Bromo-1-hydroxy-3-methylbutylidene)phenylalanine
| Molecular Formula | C14H18BrNO3 |
|---|---|
| Molecular Weight | 327.05 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 327.047 |
| Heavy Atoms | 19 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 94107-41-2 |
|---|---|
| SMILES | CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)O)Br |
| InChIKey | RGIHFSFFOHEHAX-UHFFFAOYSA-N |
Product Overview
N-(2-Bromo-3-methylbutyryl)-3-phenyl-DL-alanine (CAS 94107-41-2), with molecular formula C14H18BrNO3 and molecular weight 327.05 g/mol. IUPAC: 2-[(2-bromo-3-methylbutanoyl)amino]-3-phenylpropanoic acid.
Chemical Property Profile of N-(2-Bromo-3-methylbutyryl)-3-phenyl-DL-alanine
Property Insights of N-(2-Bromo-3-methylbutyryl)-3-phenyl-DL-alanine
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-Bromo-3-methylbutyryl)-3-phenyl-DL-alanine. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-Bromo-3-methylbutyryl)-3-phenyl-DL-alanine. Following Lipinski's Rule of Five, N-(2-Bromo-3-methylbutyryl)-3-phenyl-DL-alanine 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-(2-Bromo-3-methylbutyryl)-3-phenyl-DL-alanine?
The CAS number of N-(2-Bromo-3-methylbutyryl)-3-phenyl-DL-alanine is 94107-41-2.
What is the molecular formula of N-(2-Bromo-3-methylbutyryl)-3-phenyl-DL-alanine?
The molecular formula of N-(2-Bromo-3-methylbutyryl)-3-phenyl-DL-alanine is C14H18BrNO3.
What is the molecular weight of N-(2-Bromo-3-methylbutyryl)-3-phenyl-DL-alanine?
The molecular weight of N-(2-Bromo-3-methylbutyryl)-3-phenyl-DL-alanine is 327.05 g/mol.
Where can I buy N-(2-Bromo-3-methylbutyryl)-3-phenyl-DL-alanine?
You can request a quote for N-(2-Bromo-3-methylbutyryl)-3-phenyl-DL-alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Bromo-3-methylbutyryl)-3-phenyl-DL-alanine?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Bromo-3-methylbutyryl)-3-phenyl-DL-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.