ChemDiv1_010033
TL;DR: ChemDiv1_010033 (CAS 385393-94-2) is a chemical compound with molecular formula C23H18N4O4S and molecular weight 446.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(5Z)-6-oxo-5-(2-oxo-1-propylindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl] acetate
Also Known As: ChemDiv1_010033, 2-[(5Z)-6-oxo-5-(2-oxo-1-propyl-1,2-dihydro-3H-indol-3-ylidene)-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl acetate, (Z)-2-(6-oxo-5-(2-oxo-1-propylindolin-3-ylidene)-5,6-dihydrothiazolo[3,2-b][1,2,4]triazol-2-yl)phenyl acetate, [2-[(5Z)-6-oxo-5-(2-oxo-1-propylindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl] acetate, 2-{6-OXO-5-[(3Z)-2-OXO-1-PROPYL-2,3-DIHYDRO-1H-INDOL-3-YLIDENE]-5H,6H-[1,2,4]TRIAZOLO[3,2-B][1,3]THIAZOL-2-YL}PHENYL ACETATE
| Molecular Formula | C23H18N4O4S |
|---|---|
| Molecular Weight | 446.10 g/mol |
| LogP | 2.4178 |
| Topological Polar Surface Area | 93.87 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 446.1049 |
| Heavy Atoms | 32 |
| Complexity | 1503.9618 |
Chemical Identifiers
| CAS Number | 385393-94-2 |
|---|---|
| SMILES | CCCN1C2=CC=CC=C2/C(=C/3\C(=O)N4C(=NC(=N4)C5=CC=CC=C5OC(=O)C)S3)/C1=O |
Product Overview
ChemDiv1_010033 (CAS 385393-94-2), with molecular formula C23H18N4O4S and molecular weight 446.10 g/mol. IUPAC: [2-[(5Z)-6-oxo-5-(2-oxo-1-propylindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl] acetate.
Chemical Property Profile of ChemDiv1_010033
Property Insights of ChemDiv1_010033
The XLogP value of 2.4178 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_010033. The TPSA of 93.87 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010033. Following Lipinski's Rule of Five, ChemDiv1_010033 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 ChemDiv1_010033?
The CAS number of ChemDiv1_010033 is 385393-94-2.
What is the molecular formula of ChemDiv1_010033?
The molecular formula of ChemDiv1_010033 is C23H18N4O4S.
What is the molecular weight of ChemDiv1_010033?
The molecular weight of ChemDiv1_010033 is 446.10 g/mol.
Where can I buy ChemDiv1_010033?
You can request a quote for ChemDiv1_010033 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010033?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010033 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.