Propan-2-yl 7,8-dimethoxy-1-oxoisothiochromene-3-carboxylate
TL;DR: Propan-2-yl 7,8-dimethoxy-1-oxoisothiochromene-3-carboxylate (CAS 622352-16-3) is a chemical compound with molecular formula C15H16O5S and molecular weight 308.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 7,8-dimethoxy-1-oxoisothiochromene-3-carboxylate
Also Known As: IFLab1_005798, propan-2-yl 7,8-dimethoxy-1-oxoisothiochromene-3-carboxylate, IDI1_011201, isopropyl 7,8-dimethoxy-1-oxo-1H-isothiochromene-3-carboxylate, AP-906/42288215
| Molecular Formula | C15H16O5S |
|---|---|
| Molecular Weight | 308.07 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 87.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.07184 |
| Heavy Atoms | 21 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 622352-16-3 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC2=C(C(=C(C=C2)OC)OC)C(=O)S1 |
| InChIKey | NIZDVLBOZYTKHU-UHFFFAOYSA-N |
Product Overview
Propan-2-yl 7,8-dimethoxy-1-oxoisothiochromene-3-carboxylate (CAS 622352-16-3), with molecular formula C15H16O5S and molecular weight 308.07 g/mol. IUPAC: propan-2-yl 7,8-dimethoxy-1-oxoisothiochromene-3-carboxylate.
Chemical Property Profile of Propan-2-yl 7,8-dimethoxy-1-oxoisothiochromene-3-carboxylate
Property Insights of Propan-2-yl 7,8-dimethoxy-1-oxoisothiochromene-3-carboxylate
The XLogP value of 3.3 indicates that Propan-2-yl 7,8-dimethoxy-1-oxoisothiochromene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Propan-2-yl 7,8-dimethoxy-1-oxoisothiochromene-3-carboxylate. Following Lipinski's Rule of Five, Propan-2-yl 7,8-dimethoxy-1-oxoisothiochromene-3-carboxylate has 0 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 Propan-2-yl 7,8-dimethoxy-1-oxoisothiochromene-3-carboxylate?
The CAS number of Propan-2-yl 7,8-dimethoxy-1-oxoisothiochromene-3-carboxylate is 622352-16-3.
What is the molecular formula of Propan-2-yl 7,8-dimethoxy-1-oxoisothiochromene-3-carboxylate?
The molecular formula of Propan-2-yl 7,8-dimethoxy-1-oxoisothiochromene-3-carboxylate is C15H16O5S.
What is the molecular weight of Propan-2-yl 7,8-dimethoxy-1-oxoisothiochromene-3-carboxylate?
The molecular weight of Propan-2-yl 7,8-dimethoxy-1-oxoisothiochromene-3-carboxylate is 308.07 g/mol.
Where can I buy Propan-2-yl 7,8-dimethoxy-1-oxoisothiochromene-3-carboxylate?
You can request a quote for Propan-2-yl 7,8-dimethoxy-1-oxoisothiochromene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propan-2-yl 7,8-dimethoxy-1-oxoisothiochromene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl 7,8-dimethoxy-1-oxoisothiochromene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.