RefChem:510009
TL;DR: RefChem:510009 (CAS 463959-55-9) is a chemical compound with molecular formula C22H17N3O5S and molecular weight 435.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(Z)-(6-benzyl-3,7-dioxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene)methyl]-2-methoxyphenyl] acetate
Also Known As: Salor-int l430145-1ea, 4-[(Z)-(6-benzyl-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene)methyl]-2-methoxyphenyl acetate, 4-((Z)-(6-BENZYL-3,7-DIOXO-7H-(1,3)THIAZOLO(3,2-B)(1,2,4)TRIAZIN-2(3H)-YLIDENE)METHYL)-2-METHOXYPHENYL ACETATE, 4-{[(2Z)-6-BENZYL-3,7-DIOXO-2H,3H,7H-[1,3]THIAZOLO[3,2-B][1,2,4]TRIAZIN-2-YLIDENE]METHYL}-2-METHOXYPHENYL ACETATE, 645-845-1
| Molecular Formula | C22H17N3O5S |
|---|---|
| Molecular Weight | 435.09 g/mol |
| LogP | 1.5836 |
| Topological Polar Surface Area | 99.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 435.0889 |
| Heavy Atoms | 31 |
| Complexity | 1444.0208 |
Chemical Identifiers
| CAS Number | 463959-55-9 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1)/C=C\2/C(=O)N3C(=NC(=O)C(=N3)CC4=CC=CC=C4)S2)OC |
Product Overview
RefChem:510009 (CAS 463959-55-9), with molecular formula C22H17N3O5S and molecular weight 435.09 g/mol. IUPAC: [4-[(Z)-(6-benzyl-3,7-dioxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene)methyl]-2-methoxyphenyl] acetate.
Chemical Property Profile of RefChem:510009
Property Insights of RefChem:510009
The XLogP value of 1.5836 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:510009. The TPSA of 99.86 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:510009. Following Lipinski's Rule of Five, RefChem:510009 has 0 hydrogen bond donor(s) and 8 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:510009?
The CAS number of RefChem:510009 is 463959-55-9.
What is the molecular formula of RefChem:510009?
The molecular formula of RefChem:510009 is C22H17N3O5S.
What is the molecular weight of RefChem:510009?
The molecular weight of RefChem:510009 is 435.09 g/mol.
Where can I buy RefChem:510009?
You can request a quote for RefChem:510009 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:510009?
Yes, KEHONG BIO provides custom synthesis services for RefChem:510009 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.