5H-(1)Benzothieno(3,2-d)-1,3,4-thiadiazolo(3,2-a)pyrimidin-5-one, 2-(2-ethoxyphenyl)-
TL;DR: 5H-(1)Benzothieno(3,2-d)-1,3,4-thiadiazolo(3,2-a)pyrimidin-5-one, 2-(2-ethoxyphenyl)- (CAS 110543-86-7) is a chemical compound with molecular formula C19H13N3O2S2 and molecular weight 379.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-(2-ethoxyphenyl)-8,14-dithia-11,12,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,12,15-hexaen-10-one
Also Known As: 5H-(1)Benzothieno(3,2-d)-1,3,4-thiadiazolo(3,2-a)pyrimidin-5-one, 2-(2-ethoxyphenyl)-, 2-(2-Ethoxyphenyl)-5H-(1)benzothieno(3,2-d)-1,3,4-thiadiazolo(3,2-a)pyrimidin-5-one, 2-(2-Ethoxyphenyl)-5H-[1]benzothieno[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one, RefChem:305126
| Molecular Formula | C19H13N3O2S2 |
|---|---|
| Molecular Weight | 379.04 g/mol |
| LogP | 4.5846 |
| Topological Polar Surface Area | 56.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 379.04492 |
| Heavy Atoms | 26 |
| Complexity | 1333.394 |
Chemical Identifiers
| CAS Number | 110543-86-7 |
|---|---|
| SMILES | CCOC1=CC=CC=C1C2=NN3C(=O)C4=C(C5=CC=CC=C5S4)N=C3S2 |
Product Overview
5H-(1)Benzothieno(3,2-d)-1,3,4-thiadiazolo(3,2-a)pyrimidin-5-one, 2-(2-ethoxyphenyl)- (CAS 110543-86-7), with molecular formula C19H13N3O2S2 and molecular weight 379.04 g/mol. IUPAC: 13-(2-ethoxyphenyl)-8,14-dithia-11,12,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,12,15-hexaen-10-one.
Chemical Property Profile of 5H-(1)Benzothieno(3,2-d)-1,3,4-thiadiazolo(3,2-a)pyrimidin-5-one, 2-(2-ethoxyphenyl)-
Property Insights of 5H-(1)Benzothieno(3,2-d)-1,3,4-thiadiazolo(3,2-a)pyrimidin-5-one, 2-(2-ethoxyphenyl)-
The XLogP value of 4.5846 indicates that 5H-(1)Benzothieno(3,2-d)-1,3,4-thiadiazolo(3,2-a)pyrimidin-5-one, 2-(2-ethoxyphenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.49 Ų, 5H-(1)Benzothieno(3,2-d)-1,3,4-thiadiazolo(3,2-a)pyrimidin-5-one, 2-(2-ethoxyphenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5H-(1)Benzothieno(3,2-d)-1,3,4-thiadiazolo(3,2-a)pyrimidin-5-one, 2-(2-ethoxyphenyl)- has 0 hydrogen bond donor(s) and 6 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 5H-(1)Benzothieno(3,2-d)-1,3,4-thiadiazolo(3,2-a)pyrimidin-5-one, 2-(2-ethoxyphenyl)-?
The CAS number of 5H-(1)Benzothieno(3,2-d)-1,3,4-thiadiazolo(3,2-a)pyrimidin-5-one, 2-(2-ethoxyphenyl)- is 110543-86-7.
What is the molecular formula of 5H-(1)Benzothieno(3,2-d)-1,3,4-thiadiazolo(3,2-a)pyrimidin-5-one, 2-(2-ethoxyphenyl)-?
The molecular formula of 5H-(1)Benzothieno(3,2-d)-1,3,4-thiadiazolo(3,2-a)pyrimidin-5-one, 2-(2-ethoxyphenyl)- is C19H13N3O2S2.
What is the molecular weight of 5H-(1)Benzothieno(3,2-d)-1,3,4-thiadiazolo(3,2-a)pyrimidin-5-one, 2-(2-ethoxyphenyl)-?
The molecular weight of 5H-(1)Benzothieno(3,2-d)-1,3,4-thiadiazolo(3,2-a)pyrimidin-5-one, 2-(2-ethoxyphenyl)- is 379.04 g/mol.
Where can I buy 5H-(1)Benzothieno(3,2-d)-1,3,4-thiadiazolo(3,2-a)pyrimidin-5-one, 2-(2-ethoxyphenyl)-?
You can request a quote for 5H-(1)Benzothieno(3,2-d)-1,3,4-thiadiazolo(3,2-a)pyrimidin-5-one, 2-(2-ethoxyphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5H-(1)Benzothieno(3,2-d)-1,3,4-thiadiazolo(3,2-a)pyrimidin-5-one, 2-(2-ethoxyphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 5H-(1)Benzothieno(3,2-d)-1,3,4-thiadiazolo(3,2-a)pyrimidin-5-one, 2-(2-ethoxyphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.