3-Isopropoxybenzoyl chloride
TL;DR: 3-Isopropoxybenzoyl chloride (CAS 21485-07-4) is a chemical compound with molecular formula C10H11ClO2 and molecular weight 198.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-propan-2-yloxybenzoyl chloride
Also Known As: 3-isopropoxybenzoyl chloride, 3-Isopropoxy-benzoyl chloride, Benzoylchloride,3- -, 3-propan-2-yloxybenzoyl chloride, 3-(propan-2-yloxy)benzoyl chloride
| Molecular Formula | C10H11ClO2 |
|---|---|
| Molecular Weight | 198.04 g/mol |
| LogP | 2.8528 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.04475 |
| Heavy Atoms | 13 |
| Complexity | 307.54797 |
Chemical Identifiers
| CAS Number | 21485-07-4 |
|---|---|
| SMILES | CC(C)OC1=CC=CC(=C1)C(=O)Cl |
Product Overview
3-Isopropoxybenzoyl chloride (CAS 21485-07-4), with molecular formula C10H11ClO2 and molecular weight 198.04 g/mol. IUPAC: 3-propan-2-yloxybenzoyl chloride.
Chemical Property Profile of 3-Isopropoxybenzoyl chloride
Property Insights of 3-Isopropoxybenzoyl chloride
The XLogP value of 2.8528 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Isopropoxybenzoyl chloride. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Isopropoxybenzoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Isopropoxybenzoyl chloride 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 3-Isopropoxybenzoyl chloride?
The CAS number of 3-Isopropoxybenzoyl chloride is 21485-07-4.
What is the molecular formula of 3-Isopropoxybenzoyl chloride?
The molecular formula of 3-Isopropoxybenzoyl chloride is C10H11ClO2.
What is the molecular weight of 3-Isopropoxybenzoyl chloride?
The molecular weight of 3-Isopropoxybenzoyl chloride is 198.04 g/mol.
Where can I buy 3-Isopropoxybenzoyl chloride?
You can request a quote for 3-Isopropoxybenzoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Isopropoxybenzoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Isopropoxybenzoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.