1-Phenyl-1,3a,4,5,6,6a-hexahydrocyclopenta(d)(1,2,3)triazole
TL;DR: 1-Phenyl-1,3a,4,5,6,6a-hexahydrocyclopenta(d)(1,2,3)triazole (CAS 3523-51-1) is a chemical compound with molecular formula C11H13N3 and molecular weight 187.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]triazole
Also Known As: 1-Phenyl-1,3a,4,5,6,6a-hexahydrocyclopenta(d)(1,2,3)triazole, J2.744.965D, 3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]triazole, 2-Phenyl-2,3,4-triazabicyclo[3.3.0]octa-3-ene, 1-Phenyl-1,3a,4,5,6,6a-hexahydrocyclopenta[d][1,2,3]triazole
| Molecular Formula | C11H13N3 |
|---|---|
| Molecular Weight | 187.11 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 28.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 187.11095 |
| Heavy Atoms | 14 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 3523-51-1 |
|---|---|
| SMILES | C1CC2C(C1)N(N=N2)C3=CC=CC=C3 |
| InChIKey | OEZUMGJJZUYOPZ-UHFFFAOYSA-N |
Product Overview
1-Phenyl-1,3a,4,5,6,6a-hexahydrocyclopenta(d)(1,2,3)triazole (CAS 3523-51-1), with molecular formula C11H13N3 and molecular weight 187.11 g/mol. IUPAC: 3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]triazole.
Chemical Property Profile of 1-Phenyl-1,3a,4,5,6,6a-hexahydrocyclopenta(d)(1,2,3)triazole
Property Insights of 1-Phenyl-1,3a,4,5,6,6a-hexahydrocyclopenta(d)(1,2,3)triazole
The XLogP value of 3.1 indicates that 1-Phenyl-1,3a,4,5,6,6a-hexahydrocyclopenta(d)(1,2,3)triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.0 Ų, 1-Phenyl-1,3a,4,5,6,6a-hexahydrocyclopenta(d)(1,2,3)triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenyl-1,3a,4,5,6,6a-hexahydrocyclopenta(d)(1,2,3)triazole has 0 hydrogen bond donor(s) and 3 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 1-Phenyl-1,3a,4,5,6,6a-hexahydrocyclopenta(d)(1,2,3)triazole?
The CAS number of 1-Phenyl-1,3a,4,5,6,6a-hexahydrocyclopenta(d)(1,2,3)triazole is 3523-51-1.
What is the molecular formula of 1-Phenyl-1,3a,4,5,6,6a-hexahydrocyclopenta(d)(1,2,3)triazole?
The molecular formula of 1-Phenyl-1,3a,4,5,6,6a-hexahydrocyclopenta(d)(1,2,3)triazole is C11H13N3.
What is the molecular weight of 1-Phenyl-1,3a,4,5,6,6a-hexahydrocyclopenta(d)(1,2,3)triazole?
The molecular weight of 1-Phenyl-1,3a,4,5,6,6a-hexahydrocyclopenta(d)(1,2,3)triazole is 187.11 g/mol.
Where can I buy 1-Phenyl-1,3a,4,5,6,6a-hexahydrocyclopenta(d)(1,2,3)triazole?
You can request a quote for 1-Phenyl-1,3a,4,5,6,6a-hexahydrocyclopenta(d)(1,2,3)triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenyl-1,3a,4,5,6,6a-hexahydrocyclopenta(d)(1,2,3)triazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-1,3a,4,5,6,6a-hexahydrocyclopenta(d)(1,2,3)triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.