4-(Chloromethyl)-2-(propan-2-yl)-1,3-oxazole
TL;DR: 4-(Chloromethyl)-2-(propan-2-yl)-1,3-oxazole (CAS 39624-97-0) is a chemical compound with molecular formula C7H10ClNO and molecular weight 159.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(chloromethyl)-2-propan-2-yl-1,3-oxazole
Also Known As: 4-(Chloromethyl)-2-isopropyloxazole, 4-Chloromethyl-2-isopropyloxazole, 4-(chloromethyl)-2-isopropyl-1,3-oxazole, Chloromethyl-2-isopropyloxazole, 4-(chloromethyl)-2-propan-2-yl-1,3-oxazole
| Molecular Formula | C7H10ClNO |
|---|---|
| Molecular Weight | 159.05 g/mol |
| LogP | 2.5368 |
| Topological Polar Surface Area | 26.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 159.04509 |
| Heavy Atoms | 10 |
| Complexity | 207.12595 |
Chemical Identifiers
| CAS Number | 39624-97-0 |
|---|---|
| SMILES | CC(C)C1=NC(=CO1)CCl |
Product Overview
4-(Chloromethyl)-2-(propan-2-yl)-1,3-oxazole (CAS 39624-97-0), with molecular formula C7H10ClNO and molecular weight 159.05 g/mol. IUPAC: 4-(chloromethyl)-2-propan-2-yl-1,3-oxazole.
Chemical Property Profile of 4-(Chloromethyl)-2-(propan-2-yl)-1,3-oxazole
Property Insights of 4-(Chloromethyl)-2-(propan-2-yl)-1,3-oxazole
The XLogP value of 2.5368 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Chloromethyl)-2-(propan-2-yl)-1,3-oxazole. With a topological polar surface area (TPSA) of 26.03 Ų, 4-(Chloromethyl)-2-(propan-2-yl)-1,3-oxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Chloromethyl)-2-(propan-2-yl)-1,3-oxazole 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 4-(Chloromethyl)-2-(propan-2-yl)-1,3-oxazole?
The CAS number of 4-(Chloromethyl)-2-(propan-2-yl)-1,3-oxazole is 39624-97-0.
What is the molecular formula of 4-(Chloromethyl)-2-(propan-2-yl)-1,3-oxazole?
The molecular formula of 4-(Chloromethyl)-2-(propan-2-yl)-1,3-oxazole is C7H10ClNO.
What is the molecular weight of 4-(Chloromethyl)-2-(propan-2-yl)-1,3-oxazole?
The molecular weight of 4-(Chloromethyl)-2-(propan-2-yl)-1,3-oxazole is 159.05 g/mol.
Where can I buy 4-(Chloromethyl)-2-(propan-2-yl)-1,3-oxazole?
You can request a quote for 4-(Chloromethyl)-2-(propan-2-yl)-1,3-oxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Chloromethyl)-2-(propan-2-yl)-1,3-oxazole?
Yes, KEHONG BIO provides custom synthesis services for 4-(Chloromethyl)-2-(propan-2-yl)-1,3-oxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.