Alanine, 3-(p((bis(2-chloroethyl)amino)methyl)phenyl)-, dihydrochloride
TL;DR: Alanine, 3-(p((bis(2-chloroethyl)amino)methyl)phenyl)-, dihydrochloride (CAS 2185-97-9) is a chemical compound with molecular formula C14H22Cl4N2O2 and molecular weight 390.04355 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-(2-azaniumyl-2-carboxyethyl)phenyl]methyl-bis(2-chloroethyl)azanium dichloride
Also Known As: p-Bis(2-chloroethyl)aminomethyl-phenylalanine dihydrochloride, ALANINE, 3-(p((BIS(2-CHLOROETHYL)AMINO)METHYL)PHENYL)-, DIHYDROCHLORIDE, [4-(2-azaniumyl-3-hydroxy-3-oxopropyl)phenyl]methyl-bis(2-chloroethyl)azanium dichloride
Technical Specifications
| Molecular Formula | C14H22Cl4N2O2 |
| Molecular Weight | 390.04355 g/mol |
| XLogP | -6.21 |
| Topological Polar Surface Area (TPSA) | 69.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 392.0406 Da |
| Heavy Atoms | 22 |
| Complexity | 278.0 |
| SMILES | C1=CC(=CC=C1CC(C(=O)O)[NH3+])C[NH+](CCCl)CCCl.[Cl-].[Cl-] |
| InChIKey | YJUGYTKTAOZZRD-UHFFFAOYSA-N |
Chemical Property Profile of Alanine, 3-(p((bis(2-chloroethyl)amino)methyl)phenyl)-, dihydrochloride
Property Insights of Alanine, 3-(p((bis(2-chloroethyl)amino)methyl)phenyl)-, dihydrochloride
The XLogP value of -6.21 indicates that Alanine, 3-(p((bis(2-chloroethyl)amino)methyl)phenyl)-, dihydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Alanine, 3-(p((bis(2-chloroethyl)amino)methyl)phenyl)-, dihydrochloride. Following Lipinski's Rule of Five, Alanine, 3-(p((bis(2-chloroethyl)amino)methyl)phenyl)-, dihydrochloride has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Alanine, 3-(p((bis(2-chloroethyl)amino)methyl)phenyl)-, dihydrochloride?
The CAS number of Alanine, 3-(p((bis(2-chloroethyl)amino)methyl)phenyl)-, dihydrochloride is 2185-97-9.
What is the molecular formula of Alanine, 3-(p((bis(2-chloroethyl)amino)methyl)phenyl)-, dihydrochloride?
The molecular formula of Alanine, 3-(p((bis(2-chloroethyl)amino)methyl)phenyl)-, dihydrochloride is C14H22Cl4N2O2.
What is the molecular weight of Alanine, 3-(p((bis(2-chloroethyl)amino)methyl)phenyl)-, dihydrochloride?
The molecular weight of Alanine, 3-(p((bis(2-chloroethyl)amino)methyl)phenyl)-, dihydrochloride is 390.04355 g/mol.
Where can I buy Alanine, 3-(p((bis(2-chloroethyl)amino)methyl)phenyl)-, dihydrochloride?
You can request a quote for Alanine, 3-(p((bis(2-chloroethyl)amino)methyl)phenyl)-, dihydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Alanine, 3-(p((bis(2-chloroethyl)amino)methyl)phenyl)-, dihydrochloride?
Yes, CoreyChem provides custom synthesis services for Alanine, 3-(p((bis(2-chloroethyl)amino)methyl)phenyl)-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.