4-Isopropylbenzoyl chloride
TL;DR: 4-Isopropylbenzoyl chloride (CAS 21900-62-9) is a chemical compound with molecular formula C10H11ClO and molecular weight 182.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-propan-2-ylbenzoyl chloride
Also Known As: 4-Isopropylbenzoyl chloride, 4-(1-methylethyl)benzoyl chloride, 4-propan-2-ylbenzoyl chloride, 4-iso-Propylbenzoyl chloride, Benzoylchloride,4- -
| Molecular Formula | C10H11ClO |
|---|---|
| Molecular Weight | 182.05 g/mol |
| LogP | 3.189 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.04984 |
| Heavy Atoms | 12 |
| Complexity | 274.395 |
Chemical Identifiers
| CAS Number | 21900-62-9 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C(=O)Cl |
Product Overview
4-Isopropylbenzoyl chloride (CAS 21900-62-9), with molecular formula C10H11ClO and molecular weight 182.05 g/mol. IUPAC: 4-propan-2-ylbenzoyl chloride.
Chemical Property Profile of 4-Isopropylbenzoyl chloride
Property Insights of 4-Isopropylbenzoyl chloride
The XLogP value of 3.189 indicates that 4-Isopropylbenzoyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 4-Isopropylbenzoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Isopropylbenzoyl chloride has 0 hydrogen bond donor(s) and 1 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 4-Isopropylbenzoyl chloride?
The CAS number of 4-Isopropylbenzoyl chloride is 21900-62-9.
What is the molecular formula of 4-Isopropylbenzoyl chloride?
The molecular formula of 4-Isopropylbenzoyl chloride is C10H11ClO.
What is the molecular weight of 4-Isopropylbenzoyl chloride?
The molecular weight of 4-Isopropylbenzoyl chloride is 182.05 g/mol.
Where can I buy 4-Isopropylbenzoyl chloride?
You can request a quote for 4-Isopropylbenzoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isopropylbenzoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 4-Isopropylbenzoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.