Benzenebutanoic acid, (1,1-dimethylethyl)dimethylsilyl ester
TL;DR: Benzenebutanoic acid, (1,1-dimethylethyl)dimethylsilyl ester (CAS 82475-67-0) is a chemical compound with molecular formula C20H33Cl2NO2Si and molecular weight 417.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[tert-butyl(dimethyl)silyl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
Also Known As: Benzenebutanoic acid, (1,1-dimethylethyl)dimethylsilyl ester, [tert-butyl(dimethyl)silyl] 4-[4-[bis(2-chloroethyl)amino]ph, [tert-butyl(dimethyl)silyl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate, tert-Butyldi(methyl)silyl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate
| Molecular Formula | C20H33Cl2NO2Si |
|---|---|
| Molecular Weight | 417.17 g/mol |
| LogP | 5.8417 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 417.16577 |
| Heavy Atoms | 26 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 82475-67-0 |
|---|---|
| SMILES | CC(C)(C)[Si](C)(C)OC(=O)CCCC1=CC=C(C=C1)N(CCCl)CCCl |
| InChIKey | XJPCQIRUZCYMRC-UHFFFAOYSA-N |
Product Overview
Benzenebutanoic acid, (1,1-dimethylethyl)dimethylsilyl ester (CAS 82475-67-0), with molecular formula C20H33Cl2NO2Si and molecular weight 417.17 g/mol. IUPAC: [tert-butyl(dimethyl)silyl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate.
Chemical Property Profile of Benzenebutanoic acid, (1,1-dimethylethyl)dimethylsilyl ester
Property Insights of Benzenebutanoic acid, (1,1-dimethylethyl)dimethylsilyl ester
The XLogP value of 5.8417 indicates that Benzenebutanoic acid, (1,1-dimethylethyl)dimethylsilyl 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, Benzenebutanoic acid, (1,1-dimethylethyl)dimethylsilyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenebutanoic acid, (1,1-dimethylethyl)dimethylsilyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzenebutanoic acid, (1,1-dimethylethyl)dimethylsilyl ester?
The CAS number of Benzenebutanoic acid, (1,1-dimethylethyl)dimethylsilyl ester is 82475-67-0.
What is the molecular formula of Benzenebutanoic acid, (1,1-dimethylethyl)dimethylsilyl ester?
The molecular formula of Benzenebutanoic acid, (1,1-dimethylethyl)dimethylsilyl ester is C20H33Cl2NO2Si.
What is the molecular weight of Benzenebutanoic acid, (1,1-dimethylethyl)dimethylsilyl ester?
The molecular weight of Benzenebutanoic acid, (1,1-dimethylethyl)dimethylsilyl ester is 417.17 g/mol.
Where can I buy Benzenebutanoic acid, (1,1-dimethylethyl)dimethylsilyl ester?
You can request a quote for Benzenebutanoic acid, (1,1-dimethylethyl)dimethylsilyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenebutanoic acid, (1,1-dimethylethyl)dimethylsilyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenebutanoic acid, (1,1-dimethylethyl)dimethylsilyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.