![5,7-Dimethyl-2-(2-thienyl)-1,3-diazatricyclo[3.3.1.13,7]decane structure](/static/products/5777/577762-09-5.webp)
5,7-Dimethyl-2-(2-thienyl)-1,3-diazatricyclo[3.3.1.13,7]decane
TL;DR: 5,7-Dimethyl-2-(2-thienyl)-1,3-diazatricyclo[3.3.1.13,7]decane (CAS 577762-09-5) is a chemical compound with molecular formula C14H20N2S and molecular weight 248.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dimethyl-2-thiophen-2-yl-1,3-diazatricyclo[3.3.1.13,7]decane
Also Known As: 5,7-DIMETHYL-2-(2-THIENYL)-1,3-DIAZATRICYCLO[3.3.1.13,7]DECANE, A3642/0154584, 1,3-Diazatricyclo[3.3.1.13,7]decane,5,7-dimethyl-2-(2-thienyl)-(9CI), 5,7-dimethyl-2-(thiophen-2-yl)-1,3-diazatricyclo[3.3.1.1~3,7~]decane, (1R,3S,5r,7r)-5,7-dimethyl-2-(thiophen-2-yl)-1,3-diazaadamantane
| Molecular Formula | C14H20N2S |
|---|---|
| Molecular Weight | 248.13 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 34.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 248.13472 |
| Heavy Atoms | 17 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 577762-09-5 |
|---|---|
| SMILES | CC12CC3(CN(C1)C(N(C2)C3)C4=CC=CS4)C |
| InChIKey | AXSULNBQGJAEOG-UHFFFAOYSA-N |
Product Overview
5,7-Dimethyl-2-(2-thienyl)-1,3-diazatricyclo[3.3.1.13,7]decane (CAS 577762-09-5), with molecular formula C14H20N2S and molecular weight 248.13 g/mol. IUPAC: 5,7-dimethyl-2-thiophen-2-yl-1,3-diazatricyclo[3.3.1.13,7]decane.
Chemical Property Profile of 5,7-Dimethyl-2-(2-thienyl)-1,3-diazatricyclo[3.3.1.13,7]decane
Property Insights of 5,7-Dimethyl-2-(2-thienyl)-1,3-diazatricyclo[3.3.1.13,7]decane
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,7-Dimethyl-2-(2-thienyl)-1,3-diazatricyclo[3.3.1.13,7]decane. With a topological polar surface area (TPSA) of 34.7 Ų, 5,7-Dimethyl-2-(2-thienyl)-1,3-diazatricyclo[3.3.1.13,7]decane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,7-Dimethyl-2-(2-thienyl)-1,3-diazatricyclo[3.3.1.13,7]decane 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 5,7-Dimethyl-2-(2-thienyl)-1,3-diazatricyclo[3.3.1.13,7]decane?
The CAS number of 5,7-Dimethyl-2-(2-thienyl)-1,3-diazatricyclo[3.3.1.13,7]decane is 577762-09-5.
What is the molecular formula of 5,7-Dimethyl-2-(2-thienyl)-1,3-diazatricyclo[3.3.1.13,7]decane?
The molecular formula of 5,7-Dimethyl-2-(2-thienyl)-1,3-diazatricyclo[3.3.1.13,7]decane is C14H20N2S.
What is the molecular weight of 5,7-Dimethyl-2-(2-thienyl)-1,3-diazatricyclo[3.3.1.13,7]decane?
The molecular weight of 5,7-Dimethyl-2-(2-thienyl)-1,3-diazatricyclo[3.3.1.13,7]decane is 248.13 g/mol.
Where can I buy 5,7-Dimethyl-2-(2-thienyl)-1,3-diazatricyclo[3.3.1.13,7]decane?
You can request a quote for 5,7-Dimethyl-2-(2-thienyl)-1,3-diazatricyclo[3.3.1.13,7]decane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,7-Dimethyl-2-(2-thienyl)-1,3-diazatricyclo[3.3.1.13,7]decane?
Yes, KEHONG BIO provides custom synthesis services for 5,7-Dimethyl-2-(2-thienyl)-1,3-diazatricyclo[3.3.1.13,7]decane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.