3-diethylamino-2,3-dihydrothiophene-1,1-dioxide
TL;DR: 3-diethylamino-2,3-dihydrothiophene-1,1-dioxide (CAS 30057-60-4) is a chemical compound with molecular formula C14H18N2O7 and molecular weight 326.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-(2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-1H-pyrazole-3,4-dicarboxylate
Also Known As: 3-diethylamino-2,3-dihydrothiophene-1,1-dioxide, dimethyl 5-(2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-1h-pyrazole-3,4-dicarboxylate, dimethyl 5-(2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-1H-pyrazole-3,4-dicarboxylate, Dimethyl 5-(2,2-dimethyltetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl)-1H-pyrazole-3,4-dicarboxylate, Pyrazole-3,4-dicarboxylicacid, 5-(2,3-O-isopropylidene-b-DL-erythrofuranosyl)-, dimethyl ester (8CI)
| Molecular Formula | C14H18N2O7 |
|---|---|
| Molecular Weight | 326.11 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 326.1114 |
| Heavy Atoms | 23 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 30057-60-4 |
|---|---|
| SMILES | CC1(OC2COC(C2O1)C3=C(C(=NN3)C(=O)OC)C(=O)OC)C |
| InChIKey | HVHHEWNJKVREBW-UHFFFAOYSA-N |
Product Overview
3-diethylamino-2,3-dihydrothiophene-1,1-dioxide (CAS 30057-60-4), with molecular formula C14H18N2O7 and molecular weight 326.11 g/mol. IUPAC: dimethyl 5-(2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-1H-pyrazole-3,4-dicarboxylate.
Chemical Property Profile of 3-diethylamino-2,3-dihydrothiophene-1,1-dioxide
Property Insights of 3-diethylamino-2,3-dihydrothiophene-1,1-dioxide
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-diethylamino-2,3-dihydrothiophene-1,1-dioxide. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-diethylamino-2,3-dihydrothiophene-1,1-dioxide. Following Lipinski's Rule of Five, 3-diethylamino-2,3-dihydrothiophene-1,1-dioxide has 1 hydrogen bond donor(s) and 8 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 3-diethylamino-2,3-dihydrothiophene-1,1-dioxide?
The CAS number of 3-diethylamino-2,3-dihydrothiophene-1,1-dioxide is 30057-60-4.
What is the molecular formula of 3-diethylamino-2,3-dihydrothiophene-1,1-dioxide?
The molecular formula of 3-diethylamino-2,3-dihydrothiophene-1,1-dioxide is C14H18N2O7.
What is the molecular weight of 3-diethylamino-2,3-dihydrothiophene-1,1-dioxide?
The molecular weight of 3-diethylamino-2,3-dihydrothiophene-1,1-dioxide is 326.11 g/mol.
Where can I buy 3-diethylamino-2,3-dihydrothiophene-1,1-dioxide?
You can request a quote for 3-diethylamino-2,3-dihydrothiophene-1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-diethylamino-2,3-dihydrothiophene-1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 3-diethylamino-2,3-dihydrothiophene-1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.