![9-Phenylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine structure](/static/products/1132/113246-89-2.webp)
9-Phenylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
TL;DR: 9-Phenylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine (CAS 113246-89-2) is a chemical compound with molecular formula C13H8N4S and molecular weight 252.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-phenyl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
Also Known As: ChemDiv3_002735, BAS 03374218, NCI60_006966, 9-phenylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine, 9-Phenyl-thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
| Molecular Formula | C13H8N4S |
|---|---|
| Molecular Weight | 252.05 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 71.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 252.04697 |
| Heavy Atoms | 18 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 113246-89-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CSC3=C2C4=NN=CN4C=N3 |
| InChIKey | IHYCWHDELTTWEI-UHFFFAOYSA-N |
Product Overview
9-Phenylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine (CAS 113246-89-2), with molecular formula C13H8N4S and molecular weight 252.05 g/mol. IUPAC: 12-phenyl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
Chemical Property Profile of 9-Phenylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Property Insights of 9-Phenylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
The XLogP value of 3.5 indicates that 9-Phenylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Phenylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine. Following Lipinski's Rule of Five, 9-Phenylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine has 0 hydrogen bond donor(s) and 4 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 9-Phenylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
The CAS number of 9-Phenylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is 113246-89-2.
What is the molecular formula of 9-Phenylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
The molecular formula of 9-Phenylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is C13H8N4S.
What is the molecular weight of 9-Phenylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
The molecular weight of 9-Phenylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is 252.05 g/mol.
Where can I buy 9-Phenylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
You can request a quote for 9-Phenylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Phenylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 9-Phenylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.