5-Isothiazoleglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester
TL;DR: 5-Isothiazoleglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester (CAS 101670-60-4) is a chemical compound with molecular formula C18H20N2O3S and molecular weight 344.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenyl-2-(1,2-thiazol-5-yl)acetate
Also Known As: 3-Quinuclidyl phenyl(5-isothiazinyl)glycolate, 5-ISOTHIAZOLEGLYCOLIC ACID, alpha-PHENYL-, 3-QUINUCLIDINYL ESTER, Mandelic acid, alpha-(5-isothiazinyl)-, 3-quinuclidinyl ester, 1-azabicyclo[2.2.2]oct-3-yl hydroxy(phenyl)1,2-thiazol-5-ylacetate, 1-Azabicyclo[2.2.2]octan-3-yl hydroxy(phenyl)(1,2-thiazol-5-yl)acetate
| Molecular Formula | C18H20N2O3S |
|---|---|
| Molecular Weight | 344.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 90.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 344.11948 |
| Heavy Atoms | 24 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 101670-60-4 |
|---|---|
| SMILES | C1CN2CCC1C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=NS4)O |
| InChIKey | OJXBPYFSVRHGRR-UHFFFAOYSA-N |
Product Overview
5-Isothiazoleglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester (CAS 101670-60-4), with molecular formula C18H20N2O3S and molecular weight 344.12 g/mol. IUPAC: 1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenyl-2-(1,2-thiazol-5-yl)acetate.
Chemical Property Profile of 5-Isothiazoleglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester
Property Insights of 5-Isothiazoleglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Isothiazoleglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Isothiazoleglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester. Following Lipinski's Rule of Five, 5-Isothiazoleglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester has 1 hydrogen bond donor(s) and 6 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 5-Isothiazoleglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester?
The CAS number of 5-Isothiazoleglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester is 101670-60-4.
What is the molecular formula of 5-Isothiazoleglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester?
The molecular formula of 5-Isothiazoleglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester is C18H20N2O3S.
What is the molecular weight of 5-Isothiazoleglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester?
The molecular weight of 5-Isothiazoleglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester is 344.12 g/mol.
Where can I buy 5-Isothiazoleglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester?
You can request a quote for 5-Isothiazoleglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Isothiazoleglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-Isothiazoleglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.