RefChem:509814
TL;DR: RefChem:509814 (CAS 463959-53-7) is a chemical compound with molecular formula C20H13N3O4S and molecular weight 391.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-(3,7-dioxo-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene)methyl]phenyl] acetate
Also Known As: SALOR-INT L438634-1EA, 4-[(E)-(3,7-dioxo-6-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene)methyl]phenyl acetate, [4-[(E)-(3,7-dioxo-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene)methyl]phenyl] acetate, 4-((E)-(3,7-DIOXO-6-PHENYL-7H-(1,3)THIAZOLO(3,2-B)(1,2,4)TRIAZIN-2(3H)-YLIDENE)METHYL)PHENYL ACETATE, 644-275-0
| Molecular Formula | C20H13N3O4S |
|---|---|
| Molecular Weight | 391.06 g/mol |
| LogP | 1.6512 |
| Topological Polar Surface Area | 90.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 391.06268 |
| Heavy Atoms | 28 |
| Complexity | 1342.7225 |
Chemical Identifiers
| CAS Number | 463959-53-7 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)/C=C/2\C(=O)N3C(=NC(=O)C(=N3)C4=CC=CC=C4)S2 |
Product Overview
RefChem:509814 (CAS 463959-53-7), with molecular formula C20H13N3O4S and molecular weight 391.06 g/mol. IUPAC: [4-[(E)-(3,7-dioxo-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene)methyl]phenyl] acetate.
Chemical Property Profile of RefChem:509814
Property Insights of RefChem:509814
The XLogP value of 1.6512 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:509814. The TPSA of 90.63 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:509814. Following Lipinski's Rule of Five, RefChem:509814 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 RefChem:509814?
The CAS number of RefChem:509814 is 463959-53-7.
What is the molecular formula of RefChem:509814?
The molecular formula of RefChem:509814 is C20H13N3O4S.
What is the molecular weight of RefChem:509814?
The molecular weight of RefChem:509814 is 391.06 g/mol.
Where can I buy RefChem:509814?
You can request a quote for RefChem:509814 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:509814?
Yes, KEHONG BIO provides custom synthesis services for RefChem:509814 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.