![4,4,6-trimethyl-7-oxa-1,3-diazabicyclo[4.3.0]nonane-2-thione structure](/static/products/5933/59336-14-0.webp)
4,4,6-trimethyl-7-oxa-1,3-diazabicyclo[4.3.0]nonane-2-thione
TL;DR: 4,4,6-trimethyl-7-oxa-1,3-diazabicyclo[4.3.0]nonane-2-thione (CAS 59336-14-0) is a chemical compound with molecular formula C9H16N2OS and molecular weight 200.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,7,8a-trimethyl-2,3,6,8-tetrahydro-[1,3]oxazolo[3,2-c]pyrimidine-5-thione
Also Known As: 4,4,6-trimethyl-7-oxa-1,3-diazabicyclo[4.3.0]nonane-2-thione, 7,7,8a-trimethylhexahydro-5H-[1,3]oxazolo[3,2-c]pyrimidine-5-thione, 7,7,8a-Trimethyl-hexahydro-oxazolo[3,2-c]pyrimidine-5-thione, 7,7,8a-trimethyl-2,3,6,8-tetrahydro-[1,3]oxazolo[3,2-c]pyrimidine-5-thione, 7,7,8a-trimethyltetrahydro-2H-oxazolo[3,2-c]pyrimidine-5(3H)-thione
| Molecular Formula | C9H16N2OS |
|---|---|
| Molecular Weight | 200.10 g/mol |
| LogP | 1.0916 |
| Topological Polar Surface Area | 24.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 200.09833 |
| Heavy Atoms | 13 |
| Complexity | 253.99925 |
Chemical Identifiers
| CAS Number | 59336-14-0 |
|---|---|
| SMILES | CC1(CC2(N(CCO2)C(=S)N1)C)C |
Product Overview
4,4,6-trimethyl-7-oxa-1,3-diazabicyclo[4.3.0]nonane-2-thione (CAS 59336-14-0), with molecular formula C9H16N2OS and molecular weight 200.10 g/mol. IUPAC: 7,7,8a-trimethyl-2,3,6,8-tetrahydro-[1,3]oxazolo[3,2-c]pyrimidine-5-thione.
Chemical Property Profile of 4,4,6-trimethyl-7-oxa-1,3-diazabicyclo[4.3.0]nonane-2-thione
Property Insights of 4,4,6-trimethyl-7-oxa-1,3-diazabicyclo[4.3.0]nonane-2-thione
The XLogP value of 1.0916 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4,6-trimethyl-7-oxa-1,3-diazabicyclo[4.3.0]nonane-2-thione. With a topological polar surface area (TPSA) of 24.5 Ų, 4,4,6-trimethyl-7-oxa-1,3-diazabicyclo[4.3.0]nonane-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4,6-trimethyl-7-oxa-1,3-diazabicyclo[4.3.0]nonane-2-thione has 1 hydrogen bond donor(s) and 2 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 4,4,6-trimethyl-7-oxa-1,3-diazabicyclo[4.3.0]nonane-2-thione?
The CAS number of 4,4,6-trimethyl-7-oxa-1,3-diazabicyclo[4.3.0]nonane-2-thione is 59336-14-0.
What is the molecular formula of 4,4,6-trimethyl-7-oxa-1,3-diazabicyclo[4.3.0]nonane-2-thione?
The molecular formula of 4,4,6-trimethyl-7-oxa-1,3-diazabicyclo[4.3.0]nonane-2-thione is C9H16N2OS.
What is the molecular weight of 4,4,6-trimethyl-7-oxa-1,3-diazabicyclo[4.3.0]nonane-2-thione?
The molecular weight of 4,4,6-trimethyl-7-oxa-1,3-diazabicyclo[4.3.0]nonane-2-thione is 200.10 g/mol.
Where can I buy 4,4,6-trimethyl-7-oxa-1,3-diazabicyclo[4.3.0]nonane-2-thione?
You can request a quote for 4,4,6-trimethyl-7-oxa-1,3-diazabicyclo[4.3.0]nonane-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4,6-trimethyl-7-oxa-1,3-diazabicyclo[4.3.0]nonane-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 4,4,6-trimethyl-7-oxa-1,3-diazabicyclo[4.3.0]nonane-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.