12-Chloro-7-thia-9,11-diazatricyclo(6.4.0.0,2,6)dodeca-1(12),2(6),8,10-tetraene
TL;DR: 12-Chloro-7-thia-9,11-diazatricyclo(6.4.0.0,2,6)dodeca-1(12),2(6),8,10-tetraene (CAS 300816-22-2) is a chemical compound with molecular formula C9H7ClN2S and molecular weight 210.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene
Also Known As: 4-chloro-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidine, 4-Chloro-2,3-dihydro-1H-8-thia-5,7-diaza-cyclopenta[a]indene, 4-CHLRO-67-DIHYDRO-5H-CYCLO 1G., 4-CHLRO-67-DIHYDRO-5H-CYCLO 5G., J2.846.699D
| Molecular Formula | C9H7ClN2S |
|---|---|
| Molecular Weight | 210.00 g/mol |
| LogP | 2.8334 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 210.00185 |
| Heavy Atoms | 13 |
| Complexity | 477.66458 |
Chemical Identifiers
| CAS Number | 300816-22-2 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=NC=N3)Cl |
Product Overview
12-Chloro-7-thia-9,11-diazatricyclo(6.4.0.0,2,6)dodeca-1(12),2(6),8,10-tetraene (CAS 300816-22-2), with molecular formula C9H7ClN2S and molecular weight 210.00 g/mol. IUPAC: 12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene.
Chemical Property Profile of 12-Chloro-7-thia-9,11-diazatricyclo(6.4.0.0,2,6)dodeca-1(12),2(6),8,10-tetraene
Property Insights of 12-Chloro-7-thia-9,11-diazatricyclo(6.4.0.0,2,6)dodeca-1(12),2(6),8,10-tetraene
The XLogP value of 2.8334 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 12-Chloro-7-thia-9,11-diazatricyclo(6.4.0.0,2,6)dodeca-1(12),2(6),8,10-tetraene. With a topological polar surface area (TPSA) of 25.78 Ų, 12-Chloro-7-thia-9,11-diazatricyclo(6.4.0.0,2,6)dodeca-1(12),2(6),8,10-tetraene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12-Chloro-7-thia-9,11-diazatricyclo(6.4.0.0,2,6)dodeca-1(12),2(6),8,10-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 12-Chloro-7-thia-9,11-diazatricyclo(6.4.0.0,2,6)dodeca-1(12),2(6),8,10-tetraene?
The CAS number of 12-Chloro-7-thia-9,11-diazatricyclo(6.4.0.0,2,6)dodeca-1(12),2(6),8,10-tetraene is 300816-22-2.
What is the molecular formula of 12-Chloro-7-thia-9,11-diazatricyclo(6.4.0.0,2,6)dodeca-1(12),2(6),8,10-tetraene?
The molecular formula of 12-Chloro-7-thia-9,11-diazatricyclo(6.4.0.0,2,6)dodeca-1(12),2(6),8,10-tetraene is C9H7ClN2S.
What is the molecular weight of 12-Chloro-7-thia-9,11-diazatricyclo(6.4.0.0,2,6)dodeca-1(12),2(6),8,10-tetraene?
The molecular weight of 12-Chloro-7-thia-9,11-diazatricyclo(6.4.0.0,2,6)dodeca-1(12),2(6),8,10-tetraene is 210.00 g/mol.
Where can I buy 12-Chloro-7-thia-9,11-diazatricyclo(6.4.0.0,2,6)dodeca-1(12),2(6),8,10-tetraene?
You can request a quote for 12-Chloro-7-thia-9,11-diazatricyclo(6.4.0.0,2,6)dodeca-1(12),2(6),8,10-tetraene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-Chloro-7-thia-9,11-diazatricyclo(6.4.0.0,2,6)dodeca-1(12),2(6),8,10-tetraene?
Yes, KEHONG BIO provides custom synthesis services for 12-Chloro-7-thia-9,11-diazatricyclo(6.4.0.0,2,6)dodeca-1(12),2(6),8,10-tetraene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.