Alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)-2-methyl-
TL;DR: Alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)-2-methyl- (CAS 64977-06-6) is a chemical compound with molecular formula C14H20Cl2N2O2 and molecular weight 318.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-methylpropanoic acid
Also Known As: CB 1746, Phenylalanine, 4-(bis(2-chloroethyl)amino)-alpha-methyl-, 3-(p-(Bis(2-chloroethyl)amino)phenyl)-2-methylalanine, ALANINE, 3-(p-(BIS(2-CHLOROETHYL)AMINO)PHENYL)-2-METHYL-, 2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-methylpropanoic acid
| Molecular Formula | C14H20Cl2N2O2 |
|---|---|
| Molecular Weight | 318.09 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 66.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 318.09018 |
| Heavy Atoms | 20 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 64977-06-6 |
|---|---|
| SMILES | CC(CC1=CC=C(C=C1)N(CCCl)CCCl)(C(=O)O)N |
| InChIKey | FZMFZUVMIYPKNS-UHFFFAOYSA-N |
Product Overview
Alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)-2-methyl- (CAS 64977-06-6), with molecular formula C14H20Cl2N2O2 and molecular weight 318.09 g/mol. IUPAC: 2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-methylpropanoic acid.
Chemical Property Profile of Alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)-2-methyl-
Property Insights of Alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)-2-methyl-
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)-2-methyl-. The TPSA of 66.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)-2-methyl-. Following Lipinski's Rule of Five, Alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)-2-methyl- 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 Alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)-2-methyl-?
The CAS number of Alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)-2-methyl- is 64977-06-6.
What is the molecular formula of Alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)-2-methyl-?
The molecular formula of Alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)-2-methyl- is C14H20Cl2N2O2.
What is the molecular weight of Alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)-2-methyl-?
The molecular weight of Alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)-2-methyl- is 318.09 g/mol.
Where can I buy Alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)-2-methyl-?
You can request a quote for Alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)-2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)-2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.