![4-[4-[Bis(2-chloroethyl)amino]phenyl]but-3-enoic acid structure](/static/products/1036/103658-52-2.webp)
4-[4-[Bis(2-chloroethyl)amino]phenyl]but-3-enoic acid
TL;DR: 4-[4-[Bis(2-chloroethyl)amino]phenyl]but-3-enoic acid (CAS 103658-52-2) is a chemical compound with molecular formula C14H17Cl2NO2 and molecular weight 301.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[bis(2-chloroethyl)amino]phenyl]but-3-enoic acid
Also Known As: 3-Butenoic acid, 4-[4-[bis(2-chloroethyl)amino]phenyl]-, 4-[4-[bis(2-chloroethyl)amino]phenyl]but-3-enoic acid
| Molecular Formula | C14H17Cl2NO2 |
|---|---|
| Molecular Weight | 301.06 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 301.06363 |
| Heavy Atoms | 19 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 103658-52-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C=CCC(=O)O)N(CCCl)CCCl |
| InChIKey | PXOQTPQOIMSYSF-UHFFFAOYSA-N |
Product Overview
4-[4-[Bis(2-chloroethyl)amino]phenyl]but-3-enoic acid (CAS 103658-52-2), with molecular formula C14H17Cl2NO2 and molecular weight 301.06 g/mol. IUPAC: 4-[4-[bis(2-chloroethyl)amino]phenyl]but-3-enoic acid.
Chemical Property Profile of 4-[4-[Bis(2-chloroethyl)amino]phenyl]but-3-enoic acid
Property Insights of 4-[4-[Bis(2-chloroethyl)amino]phenyl]but-3-enoic acid
The XLogP value of 3.3 indicates that 4-[4-[Bis(2-chloroethyl)amino]phenyl]but-3-enoic 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, 4-[4-[Bis(2-chloroethyl)amino]phenyl]but-3-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[4-[Bis(2-chloroethyl)amino]phenyl]but-3-enoic 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
Frequently Asked Questions
What is the CAS number of 4-[4-[Bis(2-chloroethyl)amino]phenyl]but-3-enoic acid?
The CAS number of 4-[4-[Bis(2-chloroethyl)amino]phenyl]but-3-enoic acid is 103658-52-2.
What is the molecular formula of 4-[4-[Bis(2-chloroethyl)amino]phenyl]but-3-enoic acid?
The molecular formula of 4-[4-[Bis(2-chloroethyl)amino]phenyl]but-3-enoic acid is C14H17Cl2NO2.
What is the molecular weight of 4-[4-[Bis(2-chloroethyl)amino]phenyl]but-3-enoic acid?
The molecular weight of 4-[4-[Bis(2-chloroethyl)amino]phenyl]but-3-enoic acid is 301.06 g/mol.
Where can I buy 4-[4-[Bis(2-chloroethyl)amino]phenyl]but-3-enoic acid?
You can request a quote for 4-[4-[Bis(2-chloroethyl)amino]phenyl]but-3-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[4-[Bis(2-chloroethyl)amino]phenyl]but-3-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-[Bis(2-chloroethyl)amino]phenyl]but-3-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.