3,4-(2,2-Dimethylpropylenedioxy)thiophene
TL;DR: 3,4-(2,2-Dimethylpropylenedioxy)thiophene (CAS 255901-50-9) is a chemical compound with molecular formula C9H12O2S and molecular weight 184.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine
Also Known As: 3,4-(2,2-Dimethylpropylenedioxy)thiophene, EDOT analog, 3,3-dimethyl-3,4-dihydro-2h-thieno[3,4-b][1,4]dioxepine, 34- DIOXYTHIOPH, 3,3-dimethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine
| Molecular Formula | C9H12O2S |
|---|---|
| Molecular Weight | 184.06 g/mol |
| LogP | 2.5455 |
| Topological Polar Surface Area | 18.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 184.0558 |
| Heavy Atoms | 12 |
| Complexity | 253.31084 |
Chemical Identifiers
| CAS Number | 255901-50-9 |
|---|---|
| SMILES | CC1(COC2=CSC=C2OC1)C |
Product Overview
3,4-(2,2-Dimethylpropylenedioxy)thiophene (CAS 255901-50-9), with molecular formula C9H12O2S and molecular weight 184.06 g/mol. IUPAC: 3,3-dimethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine.
Chemical Property Profile of 3,4-(2,2-Dimethylpropylenedioxy)thiophene
Property Insights of 3,4-(2,2-Dimethylpropylenedioxy)thiophene
The XLogP value of 2.5455 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-(2,2-Dimethylpropylenedioxy)thiophene. With a topological polar surface area (TPSA) of 18.46 Ų, 3,4-(2,2-Dimethylpropylenedioxy)thiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-(2,2-Dimethylpropylenedioxy)thiophene has 0 hydrogen bond donor(s) and 3 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 3,4-(2,2-Dimethylpropylenedioxy)thiophene?
The CAS number of 3,4-(2,2-Dimethylpropylenedioxy)thiophene is 255901-50-9.
What is the molecular formula of 3,4-(2,2-Dimethylpropylenedioxy)thiophene?
The molecular formula of 3,4-(2,2-Dimethylpropylenedioxy)thiophene is C9H12O2S.
What is the molecular weight of 3,4-(2,2-Dimethylpropylenedioxy)thiophene?
The molecular weight of 3,4-(2,2-Dimethylpropylenedioxy)thiophene is 184.06 g/mol.
Where can I buy 3,4-(2,2-Dimethylpropylenedioxy)thiophene?
You can request a quote for 3,4-(2,2-Dimethylpropylenedioxy)thiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-(2,2-Dimethylpropylenedioxy)thiophene?
Yes, KEHONG BIO provides custom synthesis services for 3,4-(2,2-Dimethylpropylenedioxy)thiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.