ChemDiv1_026148
TL;DR: ChemDiv1_026148 (CAS 309290-00-4) is a chemical compound with molecular formula C28H25N5O3S and molecular weight 511.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-[(4-methoxyphenyl)methylidene]-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: ChemDiv1_026148, 3,3a,9,9a-Tetrahydro-6-[(4-methoxyphenyl)methylene]-1,3-dimethyl-3a,9a-diphenylimidazo[4,5-e]thiazolo[3,2-b][1,2,4]triazine-2,7(1H,6H)-dione, 6-[1-(4-Methoxy-phenyl)-meth-(E)-ylidene]-1,3-dimethyl-3a,9a-diphenyl-3,3a,9,9a-tetrahydro-1H-imidaz o[4,5-e]thiazolo[3,2-b][1,2,4]triazine-2,7-dione
| Molecular Formula | C28H25N5O3S |
|---|---|
| Molecular Weight | 511.17 g/mol |
| LogP | 2.6271 |
| Topological Polar Surface Area | 79.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 511.16782 |
| Heavy Atoms | 37 |
| Complexity | 1666.9778 |
Chemical Identifiers
| CAS Number | 309290-00-4 |
|---|---|
| SMILES | CN1C(=O)N(C2(C1(NN3C(=O)C(=CC4=CC=C(C=C4)OC)SC3=N2)C5=CC=CC=C5)C6=CC=CC=C6)C |
Product Overview
ChemDiv1_026148 (CAS 309290-00-4), with molecular formula C28H25N5O3S and molecular weight 511.17 g/mol. IUPAC: 11-[(4-methoxyphenyl)methylidene]-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 ChemDiv1_026148
Property Insights of ChemDiv1_026148
The XLogP value of 2.6271 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_026148. The TPSA of 79.17 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_026148. Following Lipinski's Rule of Five, ChemDiv1_026148 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_026148?
The CAS number of ChemDiv1_026148 is 309290-00-4.
What is the molecular formula of ChemDiv1_026148?
The molecular formula of ChemDiv1_026148 is C28H25N5O3S.
What is the molecular weight of ChemDiv1_026148?
The molecular weight of ChemDiv1_026148 is 511.17 g/mol.
Where can I buy ChemDiv1_026148?
You can request a quote for ChemDiv1_026148 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_026148?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_026148 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.