![2-Phenoxyethyl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate structure](/static/products/7696/76963-37-6.webp)
2-Phenoxyethyl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate
TL;DR: 2-Phenoxyethyl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate (CAS 76963-37-6) is a chemical compound with molecular formula C22H27Cl2NO3 and molecular weight 423.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenoxyethyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
Also Known As: Benzenebutanoic acid, 2-phenoxyethyl ester, 2-Phenoxyethyl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate, 2-phenoxyethyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoat, 2-phenoxyethyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
| Molecular Formula | C22H27Cl2NO3 |
|---|---|
| Molecular Weight | 423.14 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 423.1368 |
| Heavy Atoms | 28 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 76963-37-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCCOC(=O)CCCC2=CC=C(C=C2)N(CCCl)CCCl |
| InChIKey | RDCGYRQCUYRBPX-UHFFFAOYSA-N |
Product Overview
2-Phenoxyethyl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate (CAS 76963-37-6), with molecular formula C22H27Cl2NO3 and molecular weight 423.14 g/mol. IUPAC: 2-phenoxyethyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate.
Chemical Property Profile of 2-Phenoxyethyl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate
Property Insights of 2-Phenoxyethyl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate
The XLogP value of 3.7 indicates that 2-Phenoxyethyl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, 2-Phenoxyethyl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenoxyethyl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate has 0 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 2-Phenoxyethyl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate?
The CAS number of 2-Phenoxyethyl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate is 76963-37-6.
What is the molecular formula of 2-Phenoxyethyl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate?
The molecular formula of 2-Phenoxyethyl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate is C22H27Cl2NO3.
What is the molecular weight of 2-Phenoxyethyl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate?
The molecular weight of 2-Phenoxyethyl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate is 423.14 g/mol.
Where can I buy 2-Phenoxyethyl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate?
You can request a quote for 2-Phenoxyethyl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenoxyethyl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenoxyethyl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.