![4-benzyl-7-ethyl-7-methyl-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5(9H)-one structure](/static/products/356/356587-57-0.png)
4-benzyl-7-ethyl-7-methyl-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5(9H)-one
TL;DR: 4-benzyl-7-ethyl-7-methyl-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5(9H)-one (CAS 356587-57-0) is a chemical compound with molecular formula C19H19N5O2S and molecular weight 381.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-benzyl-12-ethyl-12-methyl-13-oxa-16-thia-2,3,4,5,7-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one
Also Known As: 4-benzyl-7-ethyl-7-methyl-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5(9H)-one, 4-benzyl-7-ethyl-7-methyl-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5(4H)-one
| Molecular Formula | C19H19N5O2S |
|---|---|
| Molecular Weight | 381.13 g/mol |
| LogP | 2.7904 |
| Topological Polar Surface Area | 74.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 381.12595 |
| Heavy Atoms | 27 |
| Complexity | 1209.7673 |
Chemical Identifiers
| CAS Number | 356587-57-0 |
|---|---|
| SMILES | CCC1(CC2=C(CO1)SC3=C2C(=O)N(C4=NN=NN34)CC5=CC=CC=C5)C |
Product Overview
4-benzyl-7-ethyl-7-methyl-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5(9H)-one (CAS 356587-57-0), with molecular formula C19H19N5O2S and molecular weight 381.13 g/mol. IUPAC: 7-benzyl-12-ethyl-12-methyl-13-oxa-16-thia-2,3,4,5,7-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one.
Chemical Property Profile of 4-benzyl-7-ethyl-7-methyl-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5(9H)-one
Property Insights of 4-benzyl-7-ethyl-7-methyl-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5(9H)-one
The XLogP value of 2.7904 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-benzyl-7-ethyl-7-methyl-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5(9H)-one. The TPSA of 74.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-benzyl-7-ethyl-7-methyl-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5(9H)-one. Following Lipinski's Rule of Five, 4-benzyl-7-ethyl-7-methyl-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5(9H)-one 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 4-benzyl-7-ethyl-7-methyl-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5(9H)-one?
The CAS number of 4-benzyl-7-ethyl-7-methyl-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5(9H)-one is 356587-57-0.
What is the molecular formula of 4-benzyl-7-ethyl-7-methyl-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5(9H)-one?
The molecular formula of 4-benzyl-7-ethyl-7-methyl-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5(9H)-one is C19H19N5O2S.
What is the molecular weight of 4-benzyl-7-ethyl-7-methyl-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5(9H)-one?
The molecular weight of 4-benzyl-7-ethyl-7-methyl-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5(9H)-one is 381.13 g/mol.
Where can I buy 4-benzyl-7-ethyl-7-methyl-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5(9H)-one?
You can request a quote for 4-benzyl-7-ethyl-7-methyl-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5(9H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-benzyl-7-ethyl-7-methyl-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5(9H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-benzyl-7-ethyl-7-methyl-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5(9H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.