![5-allyl-8-anilino-2,3-dimethylthieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-4(5H)-one structure](/static/products/501/501112-77-2.png)
5-allyl-8-anilino-2,3-dimethylthieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-4(5H)-one
TL;DR: 5-allyl-8-anilino-2,3-dimethylthieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-4(5H)-one (CAS 501112-77-2) is a chemical compound with molecular formula C18H17N5OS and molecular weight 351.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-anilino-4,5-dimethyl-8-prop-2-enyl-3-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,9,11-tetraen-7-one
Also Known As: 5-allyl-8-anilino-2,3-dimethylthieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-4(5H)-one, 5-allyl-2,3-dimethyl-8-(phenylamino)thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-4(5H)-one, (8Z)-2,3-dimethyl-8-(phenylimino)-5-(prop-2-en-1-yl)-7,8-dihydrothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-4(5H)-one
| Molecular Formula | C18H17N5OS |
|---|---|
| Molecular Weight | 351.12 g/mol |
| LogP | 3.65214 |
| Topological Polar Surface Area | 64.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.1154 |
| Heavy Atoms | 25 |
| Complexity | 1153.3496 |
Chemical Identifiers
| CAS Number | 501112-77-2 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C3=NN=C(N23)NC4=CC=CC=C4)CC=C)C |
Product Overview
5-allyl-8-anilino-2,3-dimethylthieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-4(5H)-one (CAS 501112-77-2), with molecular formula C18H17N5OS and molecular weight 351.12 g/mol. IUPAC: 12-anilino-4,5-dimethyl-8-prop-2-enyl-3-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,9,11-tetraen-7-one.
Chemical Property Profile of 5-allyl-8-anilino-2,3-dimethylthieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-4(5H)-one
Property Insights of 5-allyl-8-anilino-2,3-dimethylthieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-4(5H)-one
The XLogP value of 3.65214 indicates that 5-allyl-8-anilino-2,3-dimethylthieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-4(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-allyl-8-anilino-2,3-dimethylthieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-4(5H)-one. Following Lipinski's Rule of Five, 5-allyl-8-anilino-2,3-dimethylthieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-4(5H)-one 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 5-allyl-8-anilino-2,3-dimethylthieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-4(5H)-one?
The CAS number of 5-allyl-8-anilino-2,3-dimethylthieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-4(5H)-one is 501112-77-2.
What is the molecular formula of 5-allyl-8-anilino-2,3-dimethylthieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-4(5H)-one?
The molecular formula of 5-allyl-8-anilino-2,3-dimethylthieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-4(5H)-one is C18H17N5OS.
What is the molecular weight of 5-allyl-8-anilino-2,3-dimethylthieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-4(5H)-one?
The molecular weight of 5-allyl-8-anilino-2,3-dimethylthieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-4(5H)-one is 351.12 g/mol.
Where can I buy 5-allyl-8-anilino-2,3-dimethylthieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-4(5H)-one?
You can request a quote for 5-allyl-8-anilino-2,3-dimethylthieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-4(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-allyl-8-anilino-2,3-dimethylthieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-allyl-8-anilino-2,3-dimethylthieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.