Dimethylthiocarbamoyl isopropylidene glucofuranose
TL;DR: Dimethylthiocarbamoyl isopropylidene glucofuranose (CAS 64050-44-8) is a chemical compound with molecular formula C15H25NO6S and molecular weight 347.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-[[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]] N,N-dimethylcarbamothioate
Also Known As: Dimethylthiocarbamoyl isopropylidene glucofuranose, o-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-yl] dimethylcarbamothioate(non-preferred name), .alpha.-D-Glucofuranose,2:5,6-bis-O-(1-methylethylidene)-, dimethylcarbamothioate, O-[[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]] N,N-dimethylcarbamothioate
| Molecular Formula | C15H25NO6S |
|---|---|
| Molecular Weight | 347.14 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.14026 |
| Heavy Atoms | 23 |
| Complexity | 483.0 |
Chemical Identifiers
| CAS Number | 64050-44-8 |
|---|---|
| SMILES | CC1(OCC(O1)C2C(C3C(O2)OC(O3)(C)C)OC(=S)N(C)C)C |
| InChIKey | YRVWTRBCQUSOPF-UHFFFAOYSA-N |
Product Overview
Dimethylthiocarbamoyl isopropylidene glucofuranose (CAS 64050-44-8), with molecular formula C15H25NO6S and molecular weight 347.14 g/mol. IUPAC: O-[[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]] N,N-dimethylcarbamothioate.
Chemical Property Profile of Dimethylthiocarbamoyl isopropylidene glucofuranose
Property Insights of Dimethylthiocarbamoyl isopropylidene glucofuranose
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethylthiocarbamoyl isopropylidene glucofuranose. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethylthiocarbamoyl isopropylidene glucofuranose. Following Lipinski's Rule of Five, Dimethylthiocarbamoyl isopropylidene glucofuranose 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 Dimethylthiocarbamoyl isopropylidene glucofuranose?
The CAS number of Dimethylthiocarbamoyl isopropylidene glucofuranose is 64050-44-8.
What is the molecular formula of Dimethylthiocarbamoyl isopropylidene glucofuranose?
The molecular formula of Dimethylthiocarbamoyl isopropylidene glucofuranose is C15H25NO6S.
What is the molecular weight of Dimethylthiocarbamoyl isopropylidene glucofuranose?
The molecular weight of Dimethylthiocarbamoyl isopropylidene glucofuranose is 347.14 g/mol.
Where can I buy Dimethylthiocarbamoyl isopropylidene glucofuranose?
You can request a quote for Dimethylthiocarbamoyl isopropylidene glucofuranose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethylthiocarbamoyl isopropylidene glucofuranose?
Yes, KEHONG BIO provides custom synthesis services for Dimethylthiocarbamoyl isopropylidene glucofuranose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.