![Benzyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate structure](/static/products/7706/77063-15-1.webp)
Benzyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
TL;DR: Benzyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate (CAS 77063-15-1) is a chemical compound with molecular formula C21H25Cl2NO2 and molecular weight 393.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
Also Known As: Chlorambucilphenylmethyl ester, benzyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate, Benzyl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate, phenylmethyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate, Benzenebutanoicacid, 4-[bis(2-chloroethyl)amino]-, phenylmethyl ester
| Molecular Formula | C21H25Cl2NO2 |
|---|---|
| Molecular Weight | 393.13 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 393.12622 |
| Heavy Atoms | 26 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 77063-15-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)CCCC2=CC=C(C=C2)N(CCCl)CCCl |
| InChIKey | SEBYNSOEKHYPDF-UHFFFAOYSA-N |
Product Overview
Benzyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate (CAS 77063-15-1), with molecular formula C21H25Cl2NO2 and molecular weight 393.13 g/mol. IUPAC: benzyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate.
Chemical Property Profile of Benzyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
Property Insights of Benzyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
The XLogP value of 3.5 indicates that Benzyl 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 29.5 Ų, Benzyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 4-[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 Benzyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate?
The CAS number of Benzyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate is 77063-15-1.
What is the molecular formula of Benzyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate?
The molecular formula of Benzyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate is C21H25Cl2NO2.
What is the molecular weight of Benzyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate?
The molecular weight of Benzyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate is 393.13 g/mol.
Where can I buy Benzyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate?
You can request a quote for Benzyl 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 Benzyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.