![3-[2-[Bis(2-chloroethyl)amino]phenoxy]propanoic acid structure](/static/products/4255/42558-77-0.webp)
3-[2-[Bis(2-chloroethyl)amino]phenoxy]propanoic acid
TL;DR: 3-[2-[Bis(2-chloroethyl)amino]phenoxy]propanoic acid (CAS 42558-77-0) 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-[2-[bis(2-chloroethyl)amino]phenoxy]propanoic acid
Also Known As: 3-[2-[bis(2-chloroethyl)amino]phenoxy]propanoic acid, 3-[2-[bis amino]phenoxy]propanoicacid, 3-{2-[bis(2-chloroethyl)amino]phenoxy}propanoic acid, Propionic acid, 3-[2-[bis(2-chloroethyl)amino]phenoxy]-, 3-{o-[Bis-(2-chloraethyl)-amino]-phenoxy}-propionsaeure
| 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 | 260.0 |
Chemical Identifiers
| CAS Number | 42558-77-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N(CCCl)CCCl)OCCC(=O)O |
| InChIKey | HPLYMGFTQAKXEO-UHFFFAOYSA-N |
Product Overview
3-[2-[Bis(2-chloroethyl)amino]phenoxy]propanoic acid (CAS 42558-77-0), with molecular formula C13H17Cl2NO3 and molecular weight 305.06 g/mol. IUPAC: 3-[2-[bis(2-chloroethyl)amino]phenoxy]propanoic acid.
Chemical Property Profile of 3-[2-[Bis(2-chloroethyl)amino]phenoxy]propanoic acid
Property Insights of 3-[2-[Bis(2-chloroethyl)amino]phenoxy]propanoic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[2-[Bis(2-chloroethyl)amino]phenoxy]propanoic acid. With a topological polar surface area (TPSA) of 49.8 Ų, 3-[2-[Bis(2-chloroethyl)amino]phenoxy]propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[2-[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-[2-[Bis(2-chloroethyl)amino]phenoxy]propanoic acid?
The CAS number of 3-[2-[Bis(2-chloroethyl)amino]phenoxy]propanoic acid is 42558-77-0.
What is the molecular formula of 3-[2-[Bis(2-chloroethyl)amino]phenoxy]propanoic acid?
The molecular formula of 3-[2-[Bis(2-chloroethyl)amino]phenoxy]propanoic acid is C13H17Cl2NO3.
What is the molecular weight of 3-[2-[Bis(2-chloroethyl)amino]phenoxy]propanoic acid?
The molecular weight of 3-[2-[Bis(2-chloroethyl)amino]phenoxy]propanoic acid is 305.06 g/mol.
Where can I buy 3-[2-[Bis(2-chloroethyl)amino]phenoxy]propanoic acid?
You can request a quote for 3-[2-[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-[2-[Bis(2-chloroethyl)amino]phenoxy]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-[Bis(2-chloroethyl)amino]phenoxy]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.