1,3-Oxathiolane-2-acetic acid, 2-methyl-, methyl ester
TL;DR: 1,3-Oxathiolane-2-acetic acid, 2-methyl-, methyl ester (CAS 80563-95-7) is a chemical compound with molecular formula C7H12O3S and molecular weight 176.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2-methyl-1,3-oxathiolan-2-yl)acetate
Also Known As: methyl 2-(2-methyl-1,3-oxathiolan-2-yl)acetate, Methyl (2-methyl-1,3-oxathiolan-2-yl)acetate, 1,3-Oxathiolane-2-acetic acid, 2-methyl-, methyl ester, 2-methyl-2-methoxycarbonylmethyl-1,3-oxathiolane, Methyl (2-methyl-1,3-oxathiolan-2-yl)acetate #
| Molecular Formula | C7H12O3S |
|---|---|
| Molecular Weight | 176.05 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 60.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 176.05072 |
| Heavy Atoms | 11 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 80563-95-7 |
|---|---|
| SMILES | CC1(OCCS1)CC(=O)OC |
| InChIKey | IPBJFXHDCTZHTJ-UHFFFAOYSA-N |
Product Overview
1,3-Oxathiolane-2-acetic acid, 2-methyl-, methyl ester (CAS 80563-95-7), with molecular formula C7H12O3S and molecular weight 176.05 g/mol. IUPAC: methyl 2-(2-methyl-1,3-oxathiolan-2-yl)acetate.
Chemical Property Profile of 1,3-Oxathiolane-2-acetic acid, 2-methyl-, methyl ester
Property Insights of 1,3-Oxathiolane-2-acetic acid, 2-methyl-, methyl ester
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Oxathiolane-2-acetic acid, 2-methyl-, methyl ester. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Oxathiolane-2-acetic acid, 2-methyl-, methyl ester. Following Lipinski's Rule of Five, 1,3-Oxathiolane-2-acetic acid, 2-methyl-, methyl ester 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 1,3-Oxathiolane-2-acetic acid, 2-methyl-, methyl ester?
The CAS number of 1,3-Oxathiolane-2-acetic acid, 2-methyl-, methyl ester is 80563-95-7.
What is the molecular formula of 1,3-Oxathiolane-2-acetic acid, 2-methyl-, methyl ester?
The molecular formula of 1,3-Oxathiolane-2-acetic acid, 2-methyl-, methyl ester is C7H12O3S.
What is the molecular weight of 1,3-Oxathiolane-2-acetic acid, 2-methyl-, methyl ester?
The molecular weight of 1,3-Oxathiolane-2-acetic acid, 2-methyl-, methyl ester is 176.05 g/mol.
Where can I buy 1,3-Oxathiolane-2-acetic acid, 2-methyl-, methyl ester?
You can request a quote for 1,3-Oxathiolane-2-acetic acid, 2-methyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Oxathiolane-2-acetic acid, 2-methyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Oxathiolane-2-acetic acid, 2-methyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.