![1-(3-Thienylmethyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.1~3,7~]decane structure](/static/products/4997/499783-64-1.webp)
1-(3-Thienylmethyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.1~3,7~]decane
TL;DR: 1-(3-Thienylmethyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.1~3,7~]decane (CAS 499783-64-1) is a chemical compound with molecular formula C11H17N4S+ and molecular weight 237.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(thiophen-3-ylmethyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane
Also Known As: 3-thienylmethyl[?], 1-(3-thienylmethyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.1~3,7~]decane, AA-516/33241059, 1-(thiophen-3-ylmethyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane, 1-(3-Thienylmethyl)-1.lambda.~5~,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]decane
| Molecular Formula | C11H17N4S+ |
|---|---|
| Molecular Weight | 237.12 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 38.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.11739 |
| Heavy Atoms | 16 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 499783-64-1 |
|---|---|
| SMILES | C1N2CN3CN1C[N+](C2)(C3)CC4=CSC=C4 |
| InChIKey | WHHZLDHKDYHMPO-UHFFFAOYSA-N |
Product Overview
1-(3-Thienylmethyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.1~3,7~]decane (CAS 499783-64-1), with molecular formula C11H17N4S+ and molecular weight 237.12 g/mol. IUPAC: 1-(thiophen-3-ylmethyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane.
Chemical Property Profile of 1-(3-Thienylmethyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.1~3,7~]decane
Property Insights of 1-(3-Thienylmethyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.1~3,7~]decane
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Thienylmethyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.1~3,7~]decane. With a topological polar surface area (TPSA) of 38.0 Ų, 1-(3-Thienylmethyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.1~3,7~]decane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Thienylmethyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.1~3,7~]decane has 0 hydrogen bond donor(s) and 4 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 1-(3-Thienylmethyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.1~3,7~]decane?
The CAS number of 1-(3-Thienylmethyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.1~3,7~]decane is 499783-64-1.
What is the molecular formula of 1-(3-Thienylmethyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.1~3,7~]decane?
The molecular formula of 1-(3-Thienylmethyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.1~3,7~]decane is C11H17N4S+.
What is the molecular weight of 1-(3-Thienylmethyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.1~3,7~]decane?
The molecular weight of 1-(3-Thienylmethyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.1~3,7~]decane is 237.12 g/mol.
Where can I buy 1-(3-Thienylmethyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.1~3,7~]decane?
You can request a quote for 1-(3-Thienylmethyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.1~3,7~]decane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Thienylmethyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.1~3,7~]decane?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Thienylmethyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.1~3,7~]decane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.