RefChem:220110
TL;DR: RefChem:220110 (CAS 4158-91-2) is a chemical compound with molecular formula C19H24N2O5S and molecular weight 392.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methyl-3-oxo-1-thia-4,8-diazaspiro[4.5]decan-8-yl)ethyl 2,3-dihydro-1,4-benzodioxine-3-carboxylate
Also Known As: 2-(4-Methyl-3-oxo-1-thia-4,8-diazaspiro(4.5)dec-8-yl)ethyl 1,4-benzodioxan-2-carboxylate, 1,4-Benzodioxin-2-carboxylic acid, 2,3-dihydro-, 2-(4-methyl-3-oxo-1-thia-4,8-diazaspiro(4.5)dec-8-yl)ethyl ester, 2-(4-methyl-3-oxo-1-thia-4,8-diazaspiro[4.5]dec-8-yl)ethyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate, 2-(1-methyl-2-oxo-4-thia-1,8-diazaspiro[4.5]decan-8-yl)ethyl 2,3-dihydro-1,4-benzodioxine-3-carboxylate, 2-(4-Methyl-3-oxo-1-thia-4,8-diazaspiro[4.5]decan-8-yl)ethyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate
| Molecular Formula | C19H24N2O5S |
|---|---|
| Molecular Weight | 392.14 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 93.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.1406 |
| Heavy Atoms | 27 |
| Complexity | 566.0 |
Chemical Identifiers
| CAS Number | 4158-91-2 |
|---|---|
| SMILES | CN1C(=O)CSC12CCN(CC2)CCOC(=O)C3COC4=CC=CC=C4O3 |
| InChIKey | GDGKDGWCJPRRFR-UHFFFAOYSA-N |
Product Overview
RefChem:220110 (CAS 4158-91-2), with molecular formula C19H24N2O5S and molecular weight 392.14 g/mol. IUPAC: 2-(4-methyl-3-oxo-1-thia-4,8-diazaspiro[4.5]decan-8-yl)ethyl 2,3-dihydro-1,4-benzodioxine-3-carboxylate.
Chemical Property Profile of RefChem:220110
Property Insights of RefChem:220110
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:220110. The TPSA of 93.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:220110. Following Lipinski's Rule of Five, RefChem:220110 has 0 hydrogen bond donor(s) and 7 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 RefChem:220110?
The CAS number of RefChem:220110 is 4158-91-2.
What is the molecular formula of RefChem:220110?
The molecular formula of RefChem:220110 is C19H24N2O5S.
What is the molecular weight of RefChem:220110?
The molecular weight of RefChem:220110 is 392.14 g/mol.
Where can I buy RefChem:220110?
You can request a quote for RefChem:220110 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:220110?
Yes, KEHONG BIO provides custom synthesis services for RefChem:220110 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.