![3-(2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propane-1-thiol structure](/static/products/2990/29909-46-4.webp)
3-(2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propane-1-thiol
TL;DR: 3-(2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propane-1-thiol (CAS 29909-46-4) is a chemical compound with molecular formula C9H19NO3SSi and molecular weight 249.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propane-1-thiol
Also Known As: 3-Mercaptopropylsilatrane, 3-(2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propane-1-thiol, 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-propanethiol-, J3.519.349I, 2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecane-1-propanethiol
| Molecular Formula | C9H19NO3SSi |
|---|---|
| Molecular Weight | 249.09 g/mol |
| LogP | 0.6242 |
| Topological Polar Surface Area | 31.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.0855 |
| Heavy Atoms | 15 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 29909-46-4 |
|---|---|
| SMILES | C1CO[Si]2(OCCN1CCO2)CCCS |
| InChIKey | VAMRSLPZSVGKAC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propane-1-thiol (CAS 29909-46-4), with molecular formula C9H19NO3SSi and molecular weight 249.09 g/mol. IUPAC: 3-(2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propane-1-thiol.
Chemical Property Profile of 3-(2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propane-1-thiol
Property Insights of 3-(2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propane-1-thiol
The XLogP value of 0.6242 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propane-1-thiol. With a topological polar surface area (TPSA) of 31.9 Ų, 3-(2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propane-1-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propane-1-thiol has 1 hydrogen bond donor(s) and 5 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-(2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propane-1-thiol?
The CAS number of 3-(2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propane-1-thiol is 29909-46-4.
What is the molecular formula of 3-(2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propane-1-thiol?
The molecular formula of 3-(2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propane-1-thiol is C9H19NO3SSi.
What is the molecular weight of 3-(2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propane-1-thiol?
The molecular weight of 3-(2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propane-1-thiol is 249.09 g/mol.
Where can I buy 3-(2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propane-1-thiol?
You can request a quote for 3-(2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propane-1-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propane-1-thiol?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propane-1-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.