3-Chloro-8-thia-4,6-diazatricyclo(7.5.0.0,2,7)tetradeca-1(9),2,4,6-tetraene
TL;DR: 3-Chloro-8-thia-4,6-diazatricyclo(7.5.0.0,2,7)tetradeca-1(9),2,4,6-tetraene (CAS 40106-58-9) is a chemical compound with molecular formula C11H11ClN2S and molecular weight 238.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene
Also Known As: 4-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidine, 2598AE, METHYL3,4-DICHLOROPENTAFLUOROBUTYRATE, 4-CHLRO-6789-TETHYDRO-5H 250MG., 4-CHLRO-6789-TETHYDRO-5H-CY 1G.
| Molecular Formula | C11H11ClN2S |
|---|---|
| Molecular Weight | 238.03 g/mol |
| LogP | 3.6136 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 238.03314 |
| Heavy Atoms | 15 |
| Complexity | 506.50238 |
Chemical Identifiers
| CAS Number | 40106-58-9 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC3=C2C(=NC=N3)Cl |
Product Overview
3-Chloro-8-thia-4,6-diazatricyclo(7.5.0.0,2,7)tetradeca-1(9),2,4,6-tetraene (CAS 40106-58-9), with molecular formula C11H11ClN2S and molecular weight 238.03 g/mol. IUPAC: 3-chloro-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene.
Chemical Property Profile of 3-Chloro-8-thia-4,6-diazatricyclo(7.5.0.0,2,7)tetradeca-1(9),2,4,6-tetraene
Property Insights of 3-Chloro-8-thia-4,6-diazatricyclo(7.5.0.0,2,7)tetradeca-1(9),2,4,6-tetraene
The XLogP value of 3.6136 indicates that 3-Chloro-8-thia-4,6-diazatricyclo(7.5.0.0,2,7)tetradeca-1(9),2,4,6-tetraene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.78 Ų, 3-Chloro-8-thia-4,6-diazatricyclo(7.5.0.0,2,7)tetradeca-1(9),2,4,6-tetraene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-8-thia-4,6-diazatricyclo(7.5.0.0,2,7)tetradeca-1(9),2,4,6-tetraene 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 3-Chloro-8-thia-4,6-diazatricyclo(7.5.0.0,2,7)tetradeca-1(9),2,4,6-tetraene?
The CAS number of 3-Chloro-8-thia-4,6-diazatricyclo(7.5.0.0,2,7)tetradeca-1(9),2,4,6-tetraene is 40106-58-9.
What is the molecular formula of 3-Chloro-8-thia-4,6-diazatricyclo(7.5.0.0,2,7)tetradeca-1(9),2,4,6-tetraene?
The molecular formula of 3-Chloro-8-thia-4,6-diazatricyclo(7.5.0.0,2,7)tetradeca-1(9),2,4,6-tetraene is C11H11ClN2S.
What is the molecular weight of 3-Chloro-8-thia-4,6-diazatricyclo(7.5.0.0,2,7)tetradeca-1(9),2,4,6-tetraene?
The molecular weight of 3-Chloro-8-thia-4,6-diazatricyclo(7.5.0.0,2,7)tetradeca-1(9),2,4,6-tetraene is 238.03 g/mol.
Where can I buy 3-Chloro-8-thia-4,6-diazatricyclo(7.5.0.0,2,7)tetradeca-1(9),2,4,6-tetraene?
You can request a quote for 3-Chloro-8-thia-4,6-diazatricyclo(7.5.0.0,2,7)tetradeca-1(9),2,4,6-tetraene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-8-thia-4,6-diazatricyclo(7.5.0.0,2,7)tetradeca-1(9),2,4,6-tetraene?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-8-thia-4,6-diazatricyclo(7.5.0.0,2,7)tetradeca-1(9),2,4,6-tetraene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.