SC 51316
TL;DR: SC 51316 (CAS 133690-62-7) is a chemical compound with molecular formula C24H29N7O and molecular weight 431.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dibutyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one
Also Known As: 2,5-dibutyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one, 2,5-Dibutyl-2,4-dihydro-4-((2-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4'-yl)methyl)-3H-1,2,4-triazol-3-one, 2,5-Dibutyl-2,4-dihydro-4-((2-(1H-tetrazol-5-yl)(1,1-biphenyl)-4-yl)methyl)-3H-1,2,4-triazol-3-one, 3H-1,2,4-Triazol-3-one, 2,5-dibutyl-2,4-dihydro-4-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-, 4-((2'-(1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-2,5-dibutyl-2,4-dihydro-3H-1,2,4-triazol-3-one
| Molecular Formula | C24H29N7O |
|---|---|
| Molecular Weight | 431.24 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 90.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 431.24335 |
| Heavy Atoms | 32 |
| Complexity | 634.0 |
Chemical Identifiers
| CAS Number | 133690-62-7 |
|---|---|
| SMILES | CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CCCC |
| InChIKey | STODEQQYGGTXOS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
SC 51316 (CAS 133690-62-7), with molecular formula C24H29N7O and molecular weight 431.24 g/mol. IUPAC: 2,5-dibutyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one.
Chemical Property Profile of SC 51316
Property Insights of SC 51316
The XLogP value of 4.5 indicates that SC 51316 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.4 Ų falls within the moderate polarity range, balancing permeability and solubility for SC 51316. Following Lipinski's Rule of Five, SC 51316 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 SC 51316?
The CAS number of SC 51316 is 133690-62-7.
What is the molecular formula of SC 51316?
The molecular formula of SC 51316 is C24H29N7O.
What is the molecular weight of SC 51316?
The molecular weight of SC 51316 is 431.24 g/mol.
Where can I buy SC 51316?
You can request a quote for SC 51316 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SC 51316?
Yes, KEHONG BIO provides custom synthesis services for SC 51316 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.