![4-(1-Benzotriazolyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine structure](/static/products/3016/301655-08-3.webp)
4-(1-Benzotriazolyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
TL;DR: 4-(1-Benzotriazolyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine (CAS 301655-08-3) is a chemical compound with molecular formula C16H13N5S and molecular weight 307.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(benzotriazol-1-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
Also Known As: BAS 00126560, 4-(1-benzotriazolyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine, 4-(benzotriazol-1-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine, 4-(benzotriazol-1-yl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine, 4-Benzotriazol-1-yl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidine
| Molecular Formula | C16H13N5S |
|---|---|
| Molecular Weight | 307.09 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 307.08917 |
| Heavy Atoms | 22 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 301655-08-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(N=CN=C3S2)N4C5=CC=CC=C5N=N4 |
| InChIKey | MHKFSUVKILPXAD-UHFFFAOYSA-N |
Product Overview
4-(1-Benzotriazolyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine (CAS 301655-08-3), with molecular formula C16H13N5S and molecular weight 307.09 g/mol. IUPAC: 4-(benzotriazol-1-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine.
Chemical Property Profile of 4-(1-Benzotriazolyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
Property Insights of 4-(1-Benzotriazolyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
The XLogP value of 4.0 indicates that 4-(1-Benzotriazolyl)-5,6,7,8-tetrahydro-[1]benzothiolo[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-(1-Benzotriazolyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine. Following Lipinski's Rule of Five, 4-(1-Benzotriazolyl)-5,6,7,8-tetrahydro-[1]benzothiolo[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-(1-Benzotriazolyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine?
The CAS number of 4-(1-Benzotriazolyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine is 301655-08-3.
What is the molecular formula of 4-(1-Benzotriazolyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine?
The molecular formula of 4-(1-Benzotriazolyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine is C16H13N5S.
What is the molecular weight of 4-(1-Benzotriazolyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine?
The molecular weight of 4-(1-Benzotriazolyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine is 307.09 g/mol.
Where can I buy 4-(1-Benzotriazolyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine?
You can request a quote for 4-(1-Benzotriazolyl)-5,6,7,8-tetrahydro-[1]benzothiolo[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-(1-Benzotriazolyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-Benzotriazolyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.