![2-[4-[Bis(2-chloroethyl)amino]phenoxy]-2-methylpropanoic acid structure](/static/products/4708/47080-36-4.webp)
2-[4-[Bis(2-chloroethyl)amino]phenoxy]-2-methylpropanoic acid
TL;DR: 2-[4-[Bis(2-chloroethyl)amino]phenoxy]-2-methylpropanoic acid (CAS 47080-36-4) is a chemical compound with molecular formula C14H19Cl2NO3 and molecular weight 319.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[bis(2-chloroethyl)amino]phenoxy]-2-methylpropanoic acid
Also Known As: 2-[4-[bis(2-chloroethyl)amino]phenoxy]-2-methylpropanoic acid, 2-{4-[bis(2-chloroethyl)amino]phenoxy}-2-methylpropanoic acid, 2-[4-[bis(2-chloroethyl)amino]phenoxy]-2-methyl-propanoic Acid, Propanoic acid, 2-[4-[bis(2-chloroethyl)amino]phenoxy]-2-methyl-
| Molecular Formula | C14H19Cl2NO3 |
|---|---|
| Molecular Weight | 319.07 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 319.0742 |
| Heavy Atoms | 20 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 47080-36-4 |
|---|---|
| SMILES | CC(C)(C(=O)O)OC1=CC=C(C=C1)N(CCCl)CCCl |
| InChIKey | HOVXYVAXQNQKGL-UHFFFAOYSA-N |
Product Overview
2-[4-[Bis(2-chloroethyl)amino]phenoxy]-2-methylpropanoic acid (CAS 47080-36-4), with molecular formula C14H19Cl2NO3 and molecular weight 319.07 g/mol. IUPAC: 2-[4-[bis(2-chloroethyl)amino]phenoxy]-2-methylpropanoic acid.
Chemical Property Profile of 2-[4-[Bis(2-chloroethyl)amino]phenoxy]-2-methylpropanoic acid
Property Insights of 2-[4-[Bis(2-chloroethyl)amino]phenoxy]-2-methylpropanoic acid
The XLogP value of 3.2 indicates that 2-[4-[Bis(2-chloroethyl)amino]phenoxy]-2-methylpropanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, 2-[4-[Bis(2-chloroethyl)amino]phenoxy]-2-methylpropanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[4-[Bis(2-chloroethyl)amino]phenoxy]-2-methylpropanoic acid has 1 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 2-[4-[Bis(2-chloroethyl)amino]phenoxy]-2-methylpropanoic acid?
The CAS number of 2-[4-[Bis(2-chloroethyl)amino]phenoxy]-2-methylpropanoic acid is 47080-36-4.
What is the molecular formula of 2-[4-[Bis(2-chloroethyl)amino]phenoxy]-2-methylpropanoic acid?
The molecular formula of 2-[4-[Bis(2-chloroethyl)amino]phenoxy]-2-methylpropanoic acid is C14H19Cl2NO3.
What is the molecular weight of 2-[4-[Bis(2-chloroethyl)amino]phenoxy]-2-methylpropanoic acid?
The molecular weight of 2-[4-[Bis(2-chloroethyl)amino]phenoxy]-2-methylpropanoic acid is 319.07 g/mol.
Where can I buy 2-[4-[Bis(2-chloroethyl)amino]phenoxy]-2-methylpropanoic acid?
You can request a quote for 2-[4-[Bis(2-chloroethyl)amino]phenoxy]-2-methylpropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-[Bis(2-chloroethyl)amino]phenoxy]-2-methylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-[Bis(2-chloroethyl)amino]phenoxy]-2-methylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.