![2-Chloroethyl 2-[4-[bis(2-chloroethyl)amino]phenyl]butanoate structure](/static/products/942/94236-91-6.png)
2-Chloroethyl 2-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
TL;DR: 2-Chloroethyl 2-[4-[bis(2-chloroethyl)amino]phenyl]butanoate (CAS 94236-91-6) is a chemical compound with molecular formula C16H22Cl3NO2 and molecular weight 365.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethyl 2-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
Also Known As: 2-Chloroethyl 4-(bis(2-chloroethyl)amino)phenylbutyrate, 2-chloroethyl 2-[4-[bis(2-chloroethyl)amino]phenyl]butanoate, 2-CHLOROETHYL 4-[BIS(2-CHLOROETHYL)AMINO]PHENYLBUTYRATE
| Molecular Formula | C16H22Cl3NO2 |
|---|---|
| Molecular Weight | 365.07 g/mol |
| LogP | 4.2462 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 365.07162 |
| Heavy Atoms | 22 |
| Complexity | 433.522 |
Chemical Identifiers
| CAS Number | 94236-91-6 |
|---|---|
| SMILES | CCC(C1=CC=C(C=C1)N(CCCl)CCCl)C(=O)OCCCl |
Product Overview
2-Chloroethyl 2-[4-[bis(2-chloroethyl)amino]phenyl]butanoate (CAS 94236-91-6), with molecular formula C16H22Cl3NO2 and molecular weight 365.07 g/mol. IUPAC: 2-chloroethyl 2-[4-[bis(2-chloroethyl)amino]phenyl]butanoate.
Chemical Property Profile of 2-Chloroethyl 2-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
Property Insights of 2-Chloroethyl 2-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
The XLogP value of 4.2462 indicates that 2-Chloroethyl 2-[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 29.54 Ų, 2-Chloroethyl 2-[4-[bis(2-chloroethyl)amino]phenyl]butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloroethyl 2-[4-[bis(2-chloroethyl)amino]phenyl]butanoate has 0 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 2-Chloroethyl 2-[4-[bis(2-chloroethyl)amino]phenyl]butanoate?
The CAS number of 2-Chloroethyl 2-[4-[bis(2-chloroethyl)amino]phenyl]butanoate is 94236-91-6.
What is the molecular formula of 2-Chloroethyl 2-[4-[bis(2-chloroethyl)amino]phenyl]butanoate?
The molecular formula of 2-Chloroethyl 2-[4-[bis(2-chloroethyl)amino]phenyl]butanoate is C16H22Cl3NO2.
What is the molecular weight of 2-Chloroethyl 2-[4-[bis(2-chloroethyl)amino]phenyl]butanoate?
The molecular weight of 2-Chloroethyl 2-[4-[bis(2-chloroethyl)amino]phenyl]butanoate is 365.07 g/mol.
Where can I buy 2-Chloroethyl 2-[4-[bis(2-chloroethyl)amino]phenyl]butanoate?
You can request a quote for 2-Chloroethyl 2-[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-Chloroethyl 2-[4-[bis(2-chloroethyl)amino]phenyl]butanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroethyl 2-[4-[bis(2-chloroethyl)amino]phenyl]butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.