![3-{2-[Bis(2-chloroethyl)amino]phenyl}propanoic acid structure](/static/products/1069/106925-98-8.webp)
3-{2-[Bis(2-chloroethyl)amino]phenyl}propanoic acid
TL;DR: 3-{2-[Bis(2-chloroethyl)amino]phenyl}propanoic acid (CAS 106925-98-8) is a chemical compound with molecular formula C13H17Cl2NO2 and molecular weight 289.06363 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-[bis(2-chloroethyl)amino]phenyl]propanoic acid
Also Known As: 3-{2-[bis(2-chloroethyl)amino]phenyl}propanoic acid, 3-[2-[bis(2-chloroethyl)amino]phenyl]propanoic acid
Technical Specifications
| Molecular Formula | C13H17Cl2NO2 |
| Molecular Weight | 289.06363 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 289.06363 Da |
| Heavy Atoms | 18 |
| Complexity | 245.0 |
| SMILES | C1=CC=C(C(=C1)CCC(=O)O)N(CCCl)CCCl |
| InChIKey | QZWYHVUWXMIJMD-UHFFFAOYSA-N |
Chemical Property Profile of 3-{2-[Bis(2-chloroethyl)amino]phenyl}propanoic acid
Property Insights of 3-{2-[Bis(2-chloroethyl)amino]phenyl}propanoic acid
The XLogP value of 3.0 indicates that 3-{2-[Bis(2-chloroethyl)amino]phenyl}propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 3-{2-[Bis(2-chloroethyl)amino]phenyl}propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{2-[Bis(2-chloroethyl)amino]phenyl}propanoic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-{2-[Bis(2-chloroethyl)amino]phenyl}propanoic acid?
The CAS number of 3-{2-[Bis(2-chloroethyl)amino]phenyl}propanoic acid is 106925-98-8.
What is the molecular formula of 3-{2-[Bis(2-chloroethyl)amino]phenyl}propanoic acid?
The molecular formula of 3-{2-[Bis(2-chloroethyl)amino]phenyl}propanoic acid is C13H17Cl2NO2.
What is the molecular weight of 3-{2-[Bis(2-chloroethyl)amino]phenyl}propanoic acid?
The molecular weight of 3-{2-[Bis(2-chloroethyl)amino]phenyl}propanoic acid is 289.06363 g/mol.
Where can I buy 3-{2-[Bis(2-chloroethyl)amino]phenyl}propanoic acid?
You can request a quote for 3-{2-[Bis(2-chloroethyl)amino]phenyl}propanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-{2-[Bis(2-chloroethyl)amino]phenyl}propanoic acid?
Yes, CoreyChem provides custom synthesis services for 3-{2-[Bis(2-chloroethyl)amino]phenyl}propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.