Oxazole, 2-(dichloromethyl)-4,5-dihydro-4,4-dimethyl-
TL;DR: Oxazole, 2-(dichloromethyl)-4,5-dihydro-4,4-dimethyl- (CAS 65029-00-7) is a chemical compound with molecular formula C6H9Cl2NO and molecular weight 181.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dichloromethyl)-4,4-dimethyl-5H-1,3-oxazole
Also Known As: Oxazole, 2-(dichloromethyl)-4,5-dihydro-4,4-dimethyl-, 2-(dichloromethyl)-4,4-dimethyl-5H-1,3-oxazole, 2-dichloromethyl-4,4-dimethyl-2-oxazoline, 2-(Dichloromethyl)-4,4-dimethyl-2-oxazoline, J2.077.540H
| Molecular Formula | C6H9Cl2NO |
|---|---|
| Molecular Weight | 181.01 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 21.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 181.00612 |
| Heavy Atoms | 10 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 65029-00-7 |
|---|---|
| SMILES | CC1(COC(=N1)C(Cl)Cl)C |
| InChIKey | BFIXPBPWSAJKDH-UHFFFAOYSA-N |
Product Overview
Oxazole, 2-(dichloromethyl)-4,5-dihydro-4,4-dimethyl- (CAS 65029-00-7), with molecular formula C6H9Cl2NO and molecular weight 181.01 g/mol. IUPAC: 2-(dichloromethyl)-4,4-dimethyl-5H-1,3-oxazole.
Chemical Property Profile of Oxazole, 2-(dichloromethyl)-4,5-dihydro-4,4-dimethyl-
Property Insights of Oxazole, 2-(dichloromethyl)-4,5-dihydro-4,4-dimethyl-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxazole, 2-(dichloromethyl)-4,5-dihydro-4,4-dimethyl-. With a topological polar surface area (TPSA) of 21.6 Ų, Oxazole, 2-(dichloromethyl)-4,5-dihydro-4,4-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Oxazole, 2-(dichloromethyl)-4,5-dihydro-4,4-dimethyl- 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 Oxazole, 2-(dichloromethyl)-4,5-dihydro-4,4-dimethyl-?
The CAS number of Oxazole, 2-(dichloromethyl)-4,5-dihydro-4,4-dimethyl- is 65029-00-7.
What is the molecular formula of Oxazole, 2-(dichloromethyl)-4,5-dihydro-4,4-dimethyl-?
The molecular formula of Oxazole, 2-(dichloromethyl)-4,5-dihydro-4,4-dimethyl- is C6H9Cl2NO.
What is the molecular weight of Oxazole, 2-(dichloromethyl)-4,5-dihydro-4,4-dimethyl-?
The molecular weight of Oxazole, 2-(dichloromethyl)-4,5-dihydro-4,4-dimethyl- is 181.01 g/mol.
Where can I buy Oxazole, 2-(dichloromethyl)-4,5-dihydro-4,4-dimethyl-?
You can request a quote for Oxazole, 2-(dichloromethyl)-4,5-dihydro-4,4-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxazole, 2-(dichloromethyl)-4,5-dihydro-4,4-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Oxazole, 2-(dichloromethyl)-4,5-dihydro-4,4-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.