ChemDiv3_004674
TL;DR: ChemDiv3_004674 (CAS 487022-05-9) is a chemical compound with molecular formula C23H23N3O4S and molecular weight 437.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7Z)-7-[(E)-3-phenylprop-2-enylidene]-3-(3,4,5-trimethoxyphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
Also Known As: ChemDiv3_004674, IDI1_022584, BRD-K67084427-001-01-2, (7Z)-7-[(2E)-3-PHENYLPROP-2-EN-1-YLIDENE]-3-(3,4,5-TRIMETHOXYPHENYL)-2H,3H,4H,6H,7H-[1,3]THIAZOLO[3,2-A][1,3,5]TRIAZIN-6-ONE, (7Z)-7-[(2E)-3-phenylprop-2-en-1-ylidene]-3-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
| Molecular Formula | C23H23N3O4S |
|---|---|
| Molecular Weight | 437.14 g/mol |
| LogP | 2.4843 |
| Topological Polar Surface Area | 65.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 437.14093 |
| Heavy Atoms | 31 |
| Complexity | 1253.3809 |
Chemical Identifiers
| CAS Number | 487022-05-9 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)N2CN=C3N(C2)C(=O)/C(=C/C=C/C4=CC=CC=C4)/S3 |
Product Overview
ChemDiv3_004674 (CAS 487022-05-9), with molecular formula C23H23N3O4S and molecular weight 437.14 g/mol. IUPAC: (7Z)-7-[(E)-3-phenylprop-2-enylidene]-3-(3,4,5-trimethoxyphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one.
Chemical Property Profile of ChemDiv3_004674
Property Insights of ChemDiv3_004674
The XLogP value of 2.4843 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_004674. The TPSA of 65.29 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_004674. Following Lipinski's Rule of Five, ChemDiv3_004674 has 0 hydrogen bond donor(s) and 7 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 ChemDiv3_004674?
The CAS number of ChemDiv3_004674 is 487022-05-9.
What is the molecular formula of ChemDiv3_004674?
The molecular formula of ChemDiv3_004674 is C23H23N3O4S.
What is the molecular weight of ChemDiv3_004674?
The molecular weight of ChemDiv3_004674 is 437.14 g/mol.
Where can I buy ChemDiv3_004674?
You can request a quote for ChemDiv3_004674 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004674?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004674 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.