![4-Ethyl-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepine-2-thione structure](/static/products/644/644950-96-9.png)
4-Ethyl-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepine-2-thione
TL;DR: 4-Ethyl-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepine-2-thione (CAS 644950-96-9) is a chemical compound with molecular formula C10H15N3S and molecular weight 209.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepine-2-thione
Also Known As: 11-ethyl-6,8,10-triazabicyclo[5.4.0]undeca-6,11-diene-9-thione, 4-ethyl-1,3,5,6,7,8-hexahydropyrimido[4,5-b]azepine-2-thione, 2h-pyrimido[4,5-b]azepine-2-thione,4-ethyl-1,3,5,6,7,8-hexahydro-
| Molecular Formula | C10H15N3S |
|---|---|
| Molecular Weight | 209.10 g/mol |
| LogP | 2.44979 |
| Topological Polar Surface Area | 40.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 209.09866 |
| Heavy Atoms | 14 |
| Complexity | 383.44376 |
Chemical Identifiers
| CAS Number | 644950-96-9 |
|---|---|
| SMILES | CCC1=C2CCCCNC2=NC(=S)N1 |
Product Overview
4-Ethyl-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepine-2-thione (CAS 644950-96-9), with molecular formula C10H15N3S and molecular weight 209.10 g/mol. IUPAC: 4-ethyl-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepine-2-thione.
Chemical Property Profile of 4-Ethyl-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepine-2-thione
Property Insights of 4-Ethyl-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepine-2-thione
The XLogP value of 2.44979 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethyl-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepine-2-thione. With a topological polar surface area (TPSA) of 40.71 Ų, 4-Ethyl-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepine-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethyl-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepine-2-thione has 2 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 4-Ethyl-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepine-2-thione?
The CAS number of 4-Ethyl-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepine-2-thione is 644950-96-9.
What is the molecular formula of 4-Ethyl-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepine-2-thione?
The molecular formula of 4-Ethyl-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepine-2-thione is C10H15N3S.
What is the molecular weight of 4-Ethyl-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepine-2-thione?
The molecular weight of 4-Ethyl-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepine-2-thione is 209.10 g/mol.
Where can I buy 4-Ethyl-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepine-2-thione?
You can request a quote for 4-Ethyl-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepine-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-Ethyl-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepine-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethyl-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepine-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.