Methyl 2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxylate
TL;DR: Methyl 2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxylate (CAS 102437-87-6) is a chemical compound with molecular formula C7H10O3S and molecular weight 174.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxylate
Also Known As: Methyl 2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxylate, J1.319.687G, 2-Methyl-3-methoxycarbonyl-4,5-dihydro-1,4-oxathiine, methyl 6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxylate, Methyl 2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxylate #
| Molecular Formula | C7H10O3S |
|---|---|
| Molecular Weight | 174.04 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 60.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 174.03506 |
| Heavy Atoms | 11 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 102437-87-6 |
|---|---|
| SMILES | CC1=C(SCCO1)C(=O)OC |
| InChIKey | WBXUJOBNOPPTTM-UHFFFAOYSA-N |
Product Overview
Methyl 2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxylate (CAS 102437-87-6), with molecular formula C7H10O3S and molecular weight 174.04 g/mol. IUPAC: methyl 6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxylate.
Chemical Property Profile of Methyl 2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxylate
Property Insights of Methyl 2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxylate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxylate. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxylate. Following Lipinski's Rule of Five, Methyl 2-methyl-5,6-dihydro-1,4-oxathiine-3-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 Methyl 2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxylate?
The CAS number of Methyl 2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxylate is 102437-87-6.
What is the molecular formula of Methyl 2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxylate?
The molecular formula of Methyl 2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxylate is C7H10O3S.
What is the molecular weight of Methyl 2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxylate?
The molecular weight of Methyl 2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxylate is 174.04 g/mol.
Where can I buy Methyl 2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxylate?
You can request a quote for Methyl 2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.