5-Isopropyl-3-methylphenyl chloroformate
TL;DR: 5-Isopropyl-3-methylphenyl chloroformate (CAS 42571-84-6) 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.
(3-methyl-5-propan-2-ylphenyl) carbonochloridate
Also Known As: 5-Isopropyl-3-methylphenyl chloroformate, EINECS 255-890-5, 5-isopropyl-3-methylphenylchloroformate, (3-methyl-5-propan-2-ylphenyl) carbonochloridate, 3-isopropyl-5-methylphenyl carbonochloridate
| Molecular Formula | C11H13ClO2 |
|---|---|
| Molecular Weight | 212.06 g/mol |
| LogP | 3.85602 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.06041 |
| Heavy Atoms | 14 |
| Complexity | 345.1408 |
Chemical Identifiers
| CAS Number | 42571-84-6 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)OC(=O)Cl)C(C)C |
Product Overview
5-Isopropyl-3-methylphenyl chloroformate (CAS 42571-84-6), with molecular formula C11H13ClO2 and molecular weight 212.06 g/mol. IUPAC: (3-methyl-5-propan-2-ylphenyl) carbonochloridate.
Chemical Property Profile of 5-Isopropyl-3-methylphenyl chloroformate
Property Insights of 5-Isopropyl-3-methylphenyl chloroformate
The XLogP value of 3.85602 indicates that 5-Isopropyl-3-methylphenyl chloroformate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 5-Isopropyl-3-methylphenyl chloroformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Isopropyl-3-methylphenyl chloroformate 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 5-Isopropyl-3-methylphenyl chloroformate?
The CAS number of 5-Isopropyl-3-methylphenyl chloroformate is 42571-84-6.
What is the molecular formula of 5-Isopropyl-3-methylphenyl chloroformate?
The molecular formula of 5-Isopropyl-3-methylphenyl chloroformate is C11H13ClO2.
What is the molecular weight of 5-Isopropyl-3-methylphenyl chloroformate?
The molecular weight of 5-Isopropyl-3-methylphenyl chloroformate is 212.06 g/mol.
Where can I buy 5-Isopropyl-3-methylphenyl chloroformate?
You can request a quote for 5-Isopropyl-3-methylphenyl chloroformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Isopropyl-3-methylphenyl chloroformate?
Yes, KEHONG BIO provides custom synthesis services for 5-Isopropyl-3-methylphenyl chloroformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.