![3-{3-[Bis(2-chloroethyl)amino]phenoxy}propanoic acid structure](/static/products/7330/7330-44-1.webp)
3-{3-[Bis(2-chloroethyl)amino]phenoxy}propanoic acid
TL;DR: 3-{3-[Bis(2-chloroethyl)amino]phenoxy}propanoic acid (CAS 7330-44-1) 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-[3-[bis(2-chloroethyl)amino]phenoxy]propanoic acid
Also Known As: MP 544, 3-[3-[bis amino]phenoxy]propanoicacid, 3-{3-[bis(2-chloroethyl)amino]phenoxy}propanoic acid, 3-[3-[bis(2-chloroethyl)amino]phenoxy]propanoic acid, Propanoic acid, 3-[3-[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 | 260.0 |
Chemical Identifiers
| CAS Number | 7330-44-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OCCC(=O)O)N(CCCl)CCCl |
| InChIKey | FEOMSJXNYZDINC-UHFFFAOYSA-N |
Product Overview
3-{3-[Bis(2-chloroethyl)amino]phenoxy}propanoic acid (CAS 7330-44-1), with molecular formula C13H17Cl2NO3 and molecular weight 305.06 g/mol. IUPAC: 3-[3-[bis(2-chloroethyl)amino]phenoxy]propanoic acid.
Chemical Property Profile of 3-{3-[Bis(2-chloroethyl)amino]phenoxy}propanoic acid
Property Insights of 3-{3-[Bis(2-chloroethyl)amino]phenoxy}propanoic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{3-[Bis(2-chloroethyl)amino]phenoxy}propanoic acid. With a topological polar surface area (TPSA) of 49.8 Ų, 3-{3-[Bis(2-chloroethyl)amino]phenoxy}propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{3-[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-{3-[Bis(2-chloroethyl)amino]phenoxy}propanoic acid?
The CAS number of 3-{3-[Bis(2-chloroethyl)amino]phenoxy}propanoic acid is 7330-44-1.
What is the molecular formula of 3-{3-[Bis(2-chloroethyl)amino]phenoxy}propanoic acid?
The molecular formula of 3-{3-[Bis(2-chloroethyl)amino]phenoxy}propanoic acid is C13H17Cl2NO3.
What is the molecular weight of 3-{3-[Bis(2-chloroethyl)amino]phenoxy}propanoic acid?
The molecular weight of 3-{3-[Bis(2-chloroethyl)amino]phenoxy}propanoic acid is 305.06 g/mol.
Where can I buy 3-{3-[Bis(2-chloroethyl)amino]phenoxy}propanoic acid?
You can request a quote for 3-{3-[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-{3-[Bis(2-chloroethyl)amino]phenoxy}propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{3-[Bis(2-chloroethyl)amino]phenoxy}propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.