RefChem:311353
TL;DR: RefChem:311353 (CAS 116776-46-6) is a chemical compound with molecular formula C13H12N4O2S and molecular weight 288.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-ethoxyphenyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: 5,6-Dihydro-2-(2-ethoxyphenyl)-5-imino-7H-1,3,4-thiadiazolo(3,2-a)pyrimidin-7-one, 7H-1,3,4-Thiadiazolo(3,2-a)pyrimidin-7-one, 5,6-dihydro-2-(2-ethoxyphenyl)-5-imino-, 2-(2-ethoxyphenyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 2-(2-Ethoxyphenyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 2-(2-ethoxyphenyl)-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C13H12N4O2S |
|---|---|
| Molecular Weight | 288.07 g/mol |
| LogP | 2.05927 |
| Topological Polar Surface Area | 78.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.06808 |
| Heavy Atoms | 20 |
| Complexity | 653.5262 |
Chemical Identifiers
| CAS Number | 116776-46-6 |
|---|---|
| SMILES | CCOC1=CC=CC=C1C2=NN3C(=N)CC(=O)N=C3S2 |
Product Overview
RefChem:311353 (CAS 116776-46-6), with molecular formula C13H12N4O2S and molecular weight 288.07 g/mol. IUPAC: 2-(2-ethoxyphenyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of RefChem:311353
Property Insights of RefChem:311353
The XLogP value of 2.05927 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:311353. The TPSA of 78.11 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:311353. Following Lipinski's Rule of Five, RefChem:311353 has 1 hydrogen bond donor(s) and 5 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:311353?
The CAS number of RefChem:311353 is 116776-46-6.
What is the molecular formula of RefChem:311353?
The molecular formula of RefChem:311353 is C13H12N4O2S.
What is the molecular weight of RefChem:311353?
The molecular weight of RefChem:311353 is 288.07 g/mol.
Where can I buy RefChem:311353?
You can request a quote for RefChem:311353 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:311353?
Yes, KEHONG BIO provides custom synthesis services for RefChem:311353 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.