![Diethyl 2-(3,3-dioxo-3lambda6-thiatricyclo[6.2.1.02,7]undecan-5-yl)propanedioate structure](/static/products/6177/61770-38-5.webp)
Diethyl 2-(3,3-dioxo-3lambda6-thiatricyclo[6.2.1.02,7]undecan-5-yl)propanedioate
TL;DR: Diethyl 2-(3,3-dioxo-3lambda6-thiatricyclo[6.2.1.02,7]undecan-5-yl)propanedioate (CAS 61770-38-5) is a chemical compound with molecular formula C17H26O6S and molecular weight 358.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(3,3-dioxo-3λ6-thiatricyclo[6.2.1.02,7]undecan-5-yl)propanedioate
Also Known As: Diethyl (1,1-dioxodecahydro-5,8-methano-1lambda~6~-1-benzothiopyran-3-yl)propanedioate, Diethyl 2-(3,3-dioxo-3lambda6-thiatricyclo[6.2.1.02,7]undecan-5-yl)propanedioate
| Molecular Formula | C17H26O6S |
|---|---|
| Molecular Weight | 358.15 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 95.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 358.14502 |
| Heavy Atoms | 24 |
| Complexity | 589.0 |
Chemical Identifiers
| CAS Number | 61770-38-5 |
|---|---|
| SMILES | CCOC(=O)C(C1CC2C3CCC(C3)C2S(=O)(=O)C1)C(=O)OCC |
| InChIKey | HIKAJQGJYMJEJA-UHFFFAOYSA-N |
Product Overview
Diethyl 2-(3,3-dioxo-3lambda6-thiatricyclo[6.2.1.02,7]undecan-5-yl)propanedioate (CAS 61770-38-5), with molecular formula C17H26O6S and molecular weight 358.15 g/mol. IUPAC: diethyl 2-(3,3-dioxo-3λ6-thiatricyclo[6.2.1.02,7]undecan-5-yl)propanedioate.
Chemical Property Profile of Diethyl 2-(3,3-dioxo-3lambda6-thiatricyclo[6.2.1.02,7]undecan-5-yl)propanedioate
Property Insights of Diethyl 2-(3,3-dioxo-3lambda6-thiatricyclo[6.2.1.02,7]undecan-5-yl)propanedioate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-(3,3-dioxo-3lambda6-thiatricyclo[6.2.1.02,7]undecan-5-yl)propanedioate. The TPSA of 95.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-(3,3-dioxo-3lambda6-thiatricyclo[6.2.1.02,7]undecan-5-yl)propanedioate. Following Lipinski's Rule of Five, Diethyl 2-(3,3-dioxo-3lambda6-thiatricyclo[6.2.1.02,7]undecan-5-yl)propanedioate 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 Diethyl 2-(3,3-dioxo-3lambda6-thiatricyclo[6.2.1.02,7]undecan-5-yl)propanedioate?
The CAS number of Diethyl 2-(3,3-dioxo-3lambda6-thiatricyclo[6.2.1.02,7]undecan-5-yl)propanedioate is 61770-38-5.
What is the molecular formula of Diethyl 2-(3,3-dioxo-3lambda6-thiatricyclo[6.2.1.02,7]undecan-5-yl)propanedioate?
The molecular formula of Diethyl 2-(3,3-dioxo-3lambda6-thiatricyclo[6.2.1.02,7]undecan-5-yl)propanedioate is C17H26O6S.
What is the molecular weight of Diethyl 2-(3,3-dioxo-3lambda6-thiatricyclo[6.2.1.02,7]undecan-5-yl)propanedioate?
The molecular weight of Diethyl 2-(3,3-dioxo-3lambda6-thiatricyclo[6.2.1.02,7]undecan-5-yl)propanedioate is 358.15 g/mol.
Where can I buy Diethyl 2-(3,3-dioxo-3lambda6-thiatricyclo[6.2.1.02,7]undecan-5-yl)propanedioate?
You can request a quote for Diethyl 2-(3,3-dioxo-3lambda6-thiatricyclo[6.2.1.02,7]undecan-5-yl)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-(3,3-dioxo-3lambda6-thiatricyclo[6.2.1.02,7]undecan-5-yl)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-(3,3-dioxo-3lambda6-thiatricyclo[6.2.1.02,7]undecan-5-yl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.