Ethyl 3-chloro-5-methyl-4,5-dihydro-1,2-oxazole-4-carboxylate
TL;DR: Ethyl 3-chloro-5-methyl-4,5-dihydro-1,2-oxazole-4-carboxylate (CAS 201138-38-7) is a chemical compound with molecular formula C7H10ClNO3 and molecular weight 191.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-chloro-5-methyl-4,5-dihydro-1,2-oxazole-4-carboxylate
Also Known As: starbld0005804, Ethyl 3-chloro-5-methyl-4,5-dihydro-1,2-oxazole-4-carboxylate, 4-Isoxazolecarboxylicacid,3-chloro-4,5-dihydro-5-methyl-,ethylester(9CI), ETHYL 3-CHLORO-5-METHYL-2-ISOXAZOLINE-4-CARBOXYLATE, Ethyl 3-chloro-5-methyl-4,5-dihydroisoxazole-4-carboxylate
| Molecular Formula | C7H10ClNO3 |
|---|---|
| Molecular Weight | 191.03 g/mol |
| LogP | 1.1367 |
| Topological Polar Surface Area | 47.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.03493 |
| Heavy Atoms | 12 |
| Complexity | 216.69702 |
Chemical Identifiers
| CAS Number | 201138-38-7 |
|---|---|
| SMILES | CCOC(=O)C1C(ON=C1Cl)C |
Product Overview
Ethyl 3-chloro-5-methyl-4,5-dihydro-1,2-oxazole-4-carboxylate (CAS 201138-38-7), with molecular formula C7H10ClNO3 and molecular weight 191.03 g/mol. IUPAC: ethyl 3-chloro-5-methyl-4,5-dihydro-1,2-oxazole-4-carboxylate.
Chemical Property Profile of Ethyl 3-chloro-5-methyl-4,5-dihydro-1,2-oxazole-4-carboxylate
Property Insights of Ethyl 3-chloro-5-methyl-4,5-dihydro-1,2-oxazole-4-carboxylate
The XLogP value of 1.1367 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-chloro-5-methyl-4,5-dihydro-1,2-oxazole-4-carboxylate. With a topological polar surface area (TPSA) of 47.89 Ų, Ethyl 3-chloro-5-methyl-4,5-dihydro-1,2-oxazole-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-chloro-5-methyl-4,5-dihydro-1,2-oxazole-4-carboxylate has 0 hydrogen bond donor(s) and 4 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 Ethyl 3-chloro-5-methyl-4,5-dihydro-1,2-oxazole-4-carboxylate?
The CAS number of Ethyl 3-chloro-5-methyl-4,5-dihydro-1,2-oxazole-4-carboxylate is 201138-38-7.
What is the molecular formula of Ethyl 3-chloro-5-methyl-4,5-dihydro-1,2-oxazole-4-carboxylate?
The molecular formula of Ethyl 3-chloro-5-methyl-4,5-dihydro-1,2-oxazole-4-carboxylate is C7H10ClNO3.
What is the molecular weight of Ethyl 3-chloro-5-methyl-4,5-dihydro-1,2-oxazole-4-carboxylate?
The molecular weight of Ethyl 3-chloro-5-methyl-4,5-dihydro-1,2-oxazole-4-carboxylate is 191.03 g/mol.
Where can I buy Ethyl 3-chloro-5-methyl-4,5-dihydro-1,2-oxazole-4-carboxylate?
You can request a quote for Ethyl 3-chloro-5-methyl-4,5-dihydro-1,2-oxazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-chloro-5-methyl-4,5-dihydro-1,2-oxazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-chloro-5-methyl-4,5-dihydro-1,2-oxazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.