RefChem:399081
TL;DR: RefChem:399081 (CAS 623932-98-9) is a chemical compound with molecular formula C30H21N5O3S and molecular weight 531.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-[[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenylpyrazol-4-yl]methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
Also Known As: 2-((3-(2-Methyl-2,3-dihydrobenzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl)methylene)-6-phenyl-2H-thiazolo[3,2-b][1,2,4]triazine-3,7-dione, (2Z)-2-{[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl]methylene}-6-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione, (2Z)-2-((3-(2-METHYL-2,3-DIHYDRO-1-BENZOFURAN-5-YL)-1-PHENYL-1H-PYRAZOL-4-YL)METHYLENE)-6-PHENYL-7H-(1,3)THIAZOLO(3,2-B)(1,2,4)TRIAZINE-3,7(2H)-DIONE, (2Z)-2-[[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenylpyrazol-4-yl]methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione, (2Z)-2-{[3-(2-METHYL-2,3-DIHYDRO-1-BENZOFURAN-5-YL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLIDENE}-6-PHENYL-2H,3H,7H-[1,3]THIAZOLO[3,2-B][1,2,4]TRIAZINE-3,7-DIONE
| Molecular Formula | C30H21N5O3S |
|---|---|
| Molecular Weight | 531.14 g/mol |
| LogP | 3.902 |
| Topological Polar Surface Area | 91.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 531.13654 |
| Heavy Atoms | 39 |
| Complexity | 2030.9719 |
Chemical Identifiers
| CAS Number | 623932-98-9 |
|---|---|
| SMILES | CC1CC2=C(O1)C=CC(=C2)C3=NN(C=C3/C=C\4/C(=O)N5C(=NC(=O)C(=N5)C6=CC=CC=C6)S4)C7=CC=CC=C7 |
Product Overview
RefChem:399081 (CAS 623932-98-9), with molecular formula C30H21N5O3S and molecular weight 531.14 g/mol. IUPAC: (2Z)-2-[[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenylpyrazol-4-yl]methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.
Chemical Property Profile of RefChem:399081
Property Insights of RefChem:399081
The XLogP value of 3.902 indicates that RefChem:399081 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.38 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:399081. Following Lipinski's Rule of Five, RefChem:399081 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:399081?
The CAS number of RefChem:399081 is 623932-98-9.
What is the molecular formula of RefChem:399081?
The molecular formula of RefChem:399081 is C30H21N5O3S.
What is the molecular weight of RefChem:399081?
The molecular weight of RefChem:399081 is 531.14 g/mol.
Where can I buy RefChem:399081?
You can request a quote for RefChem:399081 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:399081?
Yes, KEHONG BIO provides custom synthesis services for RefChem:399081 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.