TimTec1_005766
TL;DR: TimTec1_005766 (CAS 296245-75-5) is a chemical compound with molecular formula C20H19N5O2S and molecular weight 393.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dimethyl-3,7-diphenyl-10-thia-1,2,4,6,8-pentazatricyclo[7.3.0.03,7]dodec-8-ene-5,12-dione
Also Known As: TimTec1_005766, A2222/0093569, 1,3-dimethyl-3a,9a-diphenyl-3,3a,9,9a-tetrahydroimidazo[4,5-e][1,3]thiazolo[3,2-b][1,2,4]triazine-2,7(1H,6H)-dione, 1,3-dimethyl-3a,9a-diphenyl-3,3a,9,9a-tetrahydroimidazo[4,5-e]thiazolo[3,2-b][1,2,4]triazine-2,7(1H,6H)-dione
| Molecular Formula | C20H19N5O2S |
|---|---|
| Molecular Weight | 393.13 g/mol |
| LogP | 2.1392 |
| Topological Polar Surface Area | 68.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 393.12595 |
| Heavy Atoms | 28 |
| Complexity | 998.17035 |
Chemical Identifiers
| CAS Number | 296245-75-5 |
|---|---|
| SMILES | CN1C(=O)N(C2(C1(NN3C(=O)CSC3=N2)C4=CC=CC=C4)C5=CC=CC=C5)C |
Product Overview
TimTec1_005766 (CAS 296245-75-5), with molecular formula C20H19N5O2S and molecular weight 393.13 g/mol. IUPAC: 4,6-dimethyl-3,7-diphenyl-10-thia-1,2,4,6,8-pentazatricyclo[7.3.0.03,7]dodec-8-ene-5,12-dione.
Chemical Property Profile of TimTec1_005766
Property Insights of TimTec1_005766
The XLogP value of 2.1392 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TimTec1_005766. The TPSA of 68.25 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_005766. Following Lipinski's Rule of Five, TimTec1_005766 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 TimTec1_005766?
The CAS number of TimTec1_005766 is 296245-75-5.
What is the molecular formula of TimTec1_005766?
The molecular formula of TimTec1_005766 is C20H19N5O2S.
What is the molecular weight of TimTec1_005766?
The molecular weight of TimTec1_005766 is 393.13 g/mol.
Where can I buy TimTec1_005766?
You can request a quote for TimTec1_005766 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_005766?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_005766 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.