Alanine, 3-(4-(bis(2-chloroethyl)amino)-3-methoxyphenyl)-
TL;DR: Alanine, 3-(4-(bis(2-chloroethyl)amino)-3-methoxyphenyl)- (CAS 66902-62-3) is a chemical compound with molecular formula C14H20Cl2N2O3 and molecular weight 334.09 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]-3-methoxyphenyl]propanoic acid
Also Known As: p-Bis(2-chloroethyl)amino-o-methoxyphenylalanine, 3-(4-(Bis(2-chloroethyl)amino)-3-methoxyphenyl)alanine, ALANINE, 3-(4-(BIS(2-CHLOROETHYL)AMINO)-3-METHOXYPHENYL)-, 4-[Bis(2-chloroethyl)amino]-3-methoxyphenylalanine, 3-[4-[Bis amino]-3-methoxyphenyl]-2-aminopropionicacid
| Molecular Formula | C14H20Cl2N2O3 |
|---|---|
| Molecular Weight | 334.09 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 75.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 334.08508 |
| Heavy Atoms | 21 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 66902-62-3 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)CC(C(=O)O)N)N(CCCl)CCCl |
| InChIKey | PDUXIBFAWGEDRX-UHFFFAOYSA-N |
Product Overview
Alanine, 3-(4-(bis(2-chloroethyl)amino)-3-methoxyphenyl)- (CAS 66902-62-3), with molecular formula C14H20Cl2N2O3 and molecular weight 334.09 g/mol. IUPAC: 2-amino-3-[4-[bis(2-chloroethyl)amino]-3-methoxyphenyl]propanoic acid.
Chemical Property Profile of Alanine, 3-(4-(bis(2-chloroethyl)amino)-3-methoxyphenyl)-
Property Insights of Alanine, 3-(4-(bis(2-chloroethyl)amino)-3-methoxyphenyl)-
The XLogP value of -0.1 indicates that Alanine, 3-(4-(bis(2-chloroethyl)amino)-3-methoxyphenyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 75.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Alanine, 3-(4-(bis(2-chloroethyl)amino)-3-methoxyphenyl)-. Following Lipinski's Rule of Five, Alanine, 3-(4-(bis(2-chloroethyl)amino)-3-methoxyphenyl)- has 2 hydrogen bond donor(s) and 5 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-(4-(bis(2-chloroethyl)amino)-3-methoxyphenyl)-?
The CAS number of Alanine, 3-(4-(bis(2-chloroethyl)amino)-3-methoxyphenyl)- is 66902-62-3.
What is the molecular formula of Alanine, 3-(4-(bis(2-chloroethyl)amino)-3-methoxyphenyl)-?
The molecular formula of Alanine, 3-(4-(bis(2-chloroethyl)amino)-3-methoxyphenyl)- is C14H20Cl2N2O3.
What is the molecular weight of Alanine, 3-(4-(bis(2-chloroethyl)amino)-3-methoxyphenyl)-?
The molecular weight of Alanine, 3-(4-(bis(2-chloroethyl)amino)-3-methoxyphenyl)- is 334.09 g/mol.
Where can I buy Alanine, 3-(4-(bis(2-chloroethyl)amino)-3-methoxyphenyl)-?
You can request a quote for Alanine, 3-(4-(bis(2-chloroethyl)amino)-3-methoxyphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alanine, 3-(4-(bis(2-chloroethyl)amino)-3-methoxyphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Alanine, 3-(4-(bis(2-chloroethyl)amino)-3-methoxyphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.