3-(4-(Bis(2-chloroethyl)amino)phenoxy)propanoic acid
TL;DR: 3-(4-(Bis(2-chloroethyl)amino)phenoxy)propanoic acid (CAS 92019-83-5) is a chemical compound with molecular formula C13H17Cl2NO3 and molecular weight 305.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[bis(2-chloroethyl)amino]phenoxy]propanoic acid
Also Known As: POPAM compound, POPAM, 3-{4-[bis(2-chloroethyl)amino]phenoxy}propanoic acid, 3-[4-[bis(2-chloroethyl)amino]phenoxy]propanoic acid, Propionic acid, 3-(p-(bis(2-chloroethyl)amino)phenoxy)-
| Molecular Formula | C13H17Cl2NO3 |
|---|---|
| Molecular Weight | 305.06 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 305.05856 |
| Heavy Atoms | 19 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 92019-83-5 |
|---|---|
| SMILES | C1=CC(=CC=C1N(CCCl)CCCl)OCCC(=O)O |
| InChIKey | AAVIPUSYYJOCPI-UHFFFAOYSA-N |
Product Overview
3-(4-(Bis(2-chloroethyl)amino)phenoxy)propanoic acid (CAS 92019-83-5), with molecular formula C13H17Cl2NO3 and molecular weight 305.06 g/mol. IUPAC: 3-[4-[bis(2-chloroethyl)amino]phenoxy]propanoic acid.
Chemical Property Profile of 3-(4-(Bis(2-chloroethyl)amino)phenoxy)propanoic acid
Property Insights of 3-(4-(Bis(2-chloroethyl)amino)phenoxy)propanoic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-(Bis(2-chloroethyl)amino)phenoxy)propanoic acid. With a topological polar surface area (TPSA) of 49.8 Ų, 3-(4-(Bis(2-chloroethyl)amino)phenoxy)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-(Bis(2-chloroethyl)amino)phenoxy)propanoic 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 3-(4-(Bis(2-chloroethyl)amino)phenoxy)propanoic acid?
The CAS number of 3-(4-(Bis(2-chloroethyl)amino)phenoxy)propanoic acid is 92019-83-5.
What is the molecular formula of 3-(4-(Bis(2-chloroethyl)amino)phenoxy)propanoic acid?
The molecular formula of 3-(4-(Bis(2-chloroethyl)amino)phenoxy)propanoic acid is C13H17Cl2NO3.
What is the molecular weight of 3-(4-(Bis(2-chloroethyl)amino)phenoxy)propanoic acid?
The molecular weight of 3-(4-(Bis(2-chloroethyl)amino)phenoxy)propanoic acid is 305.06 g/mol.
Where can I buy 3-(4-(Bis(2-chloroethyl)amino)phenoxy)propanoic acid?
You can request a quote for 3-(4-(Bis(2-chloroethyl)amino)phenoxy)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-(Bis(2-chloroethyl)amino)phenoxy)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-(Bis(2-chloroethyl)amino)phenoxy)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.