![4-(1H-1,2,3-benzotriazol-1-yl)-2-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine structure](/static/products/3792/379244-53-8.webp)
4-(1H-1,2,3-benzotriazol-1-yl)-2-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
TL;DR: 4-(1H-1,2,3-benzotriazol-1-yl)-2-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine (CAS 379244-53-8) is a chemical compound with molecular formula C18H17N5S and molecular weight 335.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(benzotriazol-1-yl)-2-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
Also Known As: 4-(1H-1,2,3-benzotriazol-1-yl)-2-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine, 4-(benzotriazol-1-yl)-2-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine, 4-benzotriazolyl-2-ethyl-5,6,7,8-tetrahydrobenzo[b]thiopheno[2,3-d]pyrimidine
| Molecular Formula | C18H17N5S |
|---|---|
| Molecular Weight | 335.12 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 335.12045 |
| Heavy Atoms | 24 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 379244-53-8 |
|---|---|
| SMILES | CCC1=NC(=C2C3=C(CCCC3)SC2=N1)N4C5=CC=CC=C5N=N4 |
| InChIKey | VMZKPSPAOVQWNF-UHFFFAOYSA-N |
Product Overview
4-(1H-1,2,3-benzotriazol-1-yl)-2-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine (CAS 379244-53-8), with molecular formula C18H17N5S and molecular weight 335.12 g/mol. IUPAC: 4-(benzotriazol-1-yl)-2-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine.
Chemical Property Profile of 4-(1H-1,2,3-benzotriazol-1-yl)-2-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
Property Insights of 4-(1H-1,2,3-benzotriazol-1-yl)-2-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
The XLogP value of 4.8 indicates that 4-(1H-1,2,3-benzotriazol-1-yl)-2-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1H-1,2,3-benzotriazol-1-yl)-2-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine. Following Lipinski's Rule of Five, 4-(1H-1,2,3-benzotriazol-1-yl)-2-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine has 0 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 4-(1H-1,2,3-benzotriazol-1-yl)-2-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine?
The CAS number of 4-(1H-1,2,3-benzotriazol-1-yl)-2-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine is 379244-53-8.
What is the molecular formula of 4-(1H-1,2,3-benzotriazol-1-yl)-2-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine?
The molecular formula of 4-(1H-1,2,3-benzotriazol-1-yl)-2-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine is C18H17N5S.
What is the molecular weight of 4-(1H-1,2,3-benzotriazol-1-yl)-2-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine?
The molecular weight of 4-(1H-1,2,3-benzotriazol-1-yl)-2-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine is 335.12 g/mol.
Where can I buy 4-(1H-1,2,3-benzotriazol-1-yl)-2-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine?
You can request a quote for 4-(1H-1,2,3-benzotriazol-1-yl)-2-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1H-1,2,3-benzotriazol-1-yl)-2-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-(1H-1,2,3-benzotriazol-1-yl)-2-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.