Carbonochloridic acid, 4-(1,1-dimethylethyl)phenyl ester
TL;DR: Carbonochloridic acid, 4-(1,1-dimethylethyl)phenyl ester (CAS 33129-84-9) is a chemical compound with molecular formula C11H13ClO2 and molecular weight 212.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-tert-butylphenyl) carbonochloridate
Also Known As: 4-(tert-Butyl)phenyl carbonochloridate, p-tert-Butylphenyl chloroformate, 4-tert-butylphenyl chloroformate, 4-tert-butylphenyl carbonochloridate, (4-tert-butylphenyl) carbonochloridate
| Molecular Formula | C11H13ClO2 |
|---|---|
| Molecular Weight | 212.06 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.06041 |
| Heavy Atoms | 14 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 33129-84-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OC(=O)Cl |
| InChIKey | TZHHLZDMODPXGC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbonochloridic acid, 4-(1,1-dimethylethyl)phenyl ester (CAS 33129-84-9), with molecular formula C11H13ClO2 and molecular weight 212.06 g/mol. IUPAC: (4-tert-butylphenyl) carbonochloridate.
Chemical Property Profile of Carbonochloridic acid, 4-(1,1-dimethylethyl)phenyl ester
Property Insights of Carbonochloridic acid, 4-(1,1-dimethylethyl)phenyl ester
The XLogP value of 4.3 indicates that Carbonochloridic acid, 4-(1,1-dimethylethyl)phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Carbonochloridic acid, 4-(1,1-dimethylethyl)phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbonochloridic acid, 4-(1,1-dimethylethyl)phenyl ester has 0 hydrogen bond donor(s) and 2 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 Carbonochloridic acid, 4-(1,1-dimethylethyl)phenyl ester?
The CAS number of Carbonochloridic acid, 4-(1,1-dimethylethyl)phenyl ester is 33129-84-9.
What is the molecular formula of Carbonochloridic acid, 4-(1,1-dimethylethyl)phenyl ester?
The molecular formula of Carbonochloridic acid, 4-(1,1-dimethylethyl)phenyl ester is C11H13ClO2.
What is the molecular weight of Carbonochloridic acid, 4-(1,1-dimethylethyl)phenyl ester?
The molecular weight of Carbonochloridic acid, 4-(1,1-dimethylethyl)phenyl ester is 212.06 g/mol.
Where can I buy Carbonochloridic acid, 4-(1,1-dimethylethyl)phenyl ester?
You can request a quote for Carbonochloridic acid, 4-(1,1-dimethylethyl)phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbonochloridic acid, 4-(1,1-dimethylethyl)phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbonochloridic acid, 4-(1,1-dimethylethyl)phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.