m-Phenylalanine mustard
TL;DR: m-Phenylalanine mustard (CAS 4213-34-7) is a chemical compound with molecular formula C13H19Cl3N2O2 and molecular weight 340.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[3-[bis(2-chloroethyl)amino]phenyl]-1-carboxyethyl]azanium chloride
Also Known As: meta-Phenylalanine mustard, m-Phenylalanine mustard, 3-(m-(Bis(beta-chloroethyl)amino)phenyl)-D,L-alanine hydrochloride, ALANINE, 3-(m-(BIS(2-CHLOROETHYL)AMINO)PHENYL)-, HYDROCHLORIDE, DL-, DL-Phenylalanine, 3-[bis(2-chloroethyl)amino]-, monohydrochloride
| Molecular Formula | C13H19Cl3N2O2 |
|---|---|
| Molecular Weight | 340.05 g/mol |
| LogP | -1.79 |
| Topological Polar Surface Area | 68.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 340.0512 |
| Heavy Atoms | 20 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 4213-34-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N(CCCl)CCCl)CC(C(=O)O)[NH3+].[Cl-] |
| InChIKey | ZUSOCJTVMIUIBY-UHFFFAOYSA-N |
Product Overview
m-Phenylalanine mustard (CAS 4213-34-7), with molecular formula C13H19Cl3N2O2 and molecular weight 340.05 g/mol. IUPAC: [2-[3-[bis(2-chloroethyl)amino]phenyl]-1-carboxyethyl]azanium chloride.
Chemical Property Profile of m-Phenylalanine mustard
Property Insights of m-Phenylalanine mustard
The XLogP value of -1.79 indicates that m-Phenylalanine mustard is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for m-Phenylalanine mustard. Following Lipinski's Rule of Five, m-Phenylalanine mustard has 2 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 m-Phenylalanine mustard?
The CAS number of m-Phenylalanine mustard is 4213-34-7.
What is the molecular formula of m-Phenylalanine mustard?
The molecular formula of m-Phenylalanine mustard is C13H19Cl3N2O2.
What is the molecular weight of m-Phenylalanine mustard?
The molecular weight of m-Phenylalanine mustard is 340.05 g/mol.
Where can I buy m-Phenylalanine mustard?
You can request a quote for m-Phenylalanine mustard directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for m-Phenylalanine mustard?
Yes, KEHONG BIO provides custom synthesis services for m-Phenylalanine mustard and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.