Chlorambucil-tertiary butyl ester
TL;DR: Chlorambucil-tertiary butyl ester (CAS 119054-09-0) is a chemical compound with molecular formula C18H27Cl2NO2 and molecular weight 359.14188 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
Also Known As: Chlorambucil-tertiary butyl ester, Chlorambucil-t-butyl ester, chlorambucil tertiary butyl ester, 2-(1,3-Benzodioxol-5-yl)ethanethiol, tert-butyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
Technical Specifications
| Molecular Formula | C18H27Cl2NO2 |
| Molecular Weight | 359.14188 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 359.14188 Da |
| Heavy Atoms | 23 |
| Complexity | 330.0 |
| SMILES | CC(C)(C)OC(=O)CCCC1=CC=C(C=C1)N(CCCl)CCCl |
| InChIKey | SZXDOYFHSIIZCF-UHFFFAOYSA-N |
Chemical Property Profile of Chlorambucil-tertiary butyl ester
Property Insights of Chlorambucil-tertiary butyl ester
The XLogP value of 3.0 indicates that Chlorambucil-tertiary butyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Chlorambucil-tertiary butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chlorambucil-tertiary butyl ester 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
What is the CAS number of Chlorambucil-tertiary butyl ester?
The CAS number of Chlorambucil-tertiary butyl ester is 119054-09-0.
What is the molecular formula of Chlorambucil-tertiary butyl ester?
The molecular formula of Chlorambucil-tertiary butyl ester is C18H27Cl2NO2.
What is the molecular weight of Chlorambucil-tertiary butyl ester?
The molecular weight of Chlorambucil-tertiary butyl ester is 359.14188 g/mol.
Where can I buy Chlorambucil-tertiary butyl ester?
You can request a quote for Chlorambucil-tertiary butyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Chlorambucil-tertiary butyl ester?
Yes, CoreyChem provides custom synthesis services for Chlorambucil-tertiary butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.