4-Carboxy-5-(1-Pentyl)Hexylsulfanyl-1,2,3-Triazole
TL;DR: 4-Carboxy-5-(1-Pentyl)Hexylsulfanyl-1,2,3-Triazole (CAS 190080-32-1) is a chemical compound with molecular formula C14H25N3O2S and molecular weight 299.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-undecan-6-ylsulfanyl-2H-triazole-4-carboxylic acid
Also Known As: Sid 7888231, 4-CARBOXY-5-(1-PENTYL)HEXYLSULFANYL-1,2,3-TRIAZOLE, 5-(undecan-6-ylsulfanyl)-1H-1,2,3-triazole-4-carboxylic acid, 4-Undecan-6-ylsulfanyl-1H-1,2,3-triazole-5-carboxylic acid, 5-((1-Pentylhexyl)thio)-1H-1,2,3-triazole-4-carboxylic acid
| Molecular Formula | C14H25N3O2S |
|---|---|
| Molecular Weight | 299.17 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 299.16675 |
| Heavy Atoms | 20 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 190080-32-1 |
|---|---|
| SMILES | CCCCCC(CCCCC)SC1=NNN=C1C(=O)O |
| InChIKey | GROSWUGUHPUYIU-UHFFFAOYSA-N |
Product Overview
4-Carboxy-5-(1-Pentyl)Hexylsulfanyl-1,2,3-Triazole (CAS 190080-32-1), with molecular formula C14H25N3O2S and molecular weight 299.17 g/mol. IUPAC: 5-undecan-6-ylsulfanyl-2H-triazole-4-carboxylic acid.
Chemical Property Profile of 4-Carboxy-5-(1-Pentyl)Hexylsulfanyl-1,2,3-Triazole
Property Insights of 4-Carboxy-5-(1-Pentyl)Hexylsulfanyl-1,2,3-Triazole
The XLogP value of 5.0 indicates that 4-Carboxy-5-(1-Pentyl)Hexylsulfanyl-1,2,3-Triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Carboxy-5-(1-Pentyl)Hexylsulfanyl-1,2,3-Triazole. Following Lipinski's Rule of Five, 4-Carboxy-5-(1-Pentyl)Hexylsulfanyl-1,2,3-Triazole has 2 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-Carboxy-5-(1-Pentyl)Hexylsulfanyl-1,2,3-Triazole?
The CAS number of 4-Carboxy-5-(1-Pentyl)Hexylsulfanyl-1,2,3-Triazole is 190080-32-1.
What is the molecular formula of 4-Carboxy-5-(1-Pentyl)Hexylsulfanyl-1,2,3-Triazole?
The molecular formula of 4-Carboxy-5-(1-Pentyl)Hexylsulfanyl-1,2,3-Triazole is C14H25N3O2S.
What is the molecular weight of 4-Carboxy-5-(1-Pentyl)Hexylsulfanyl-1,2,3-Triazole?
The molecular weight of 4-Carboxy-5-(1-Pentyl)Hexylsulfanyl-1,2,3-Triazole is 299.17 g/mol.
Where can I buy 4-Carboxy-5-(1-Pentyl)Hexylsulfanyl-1,2,3-Triazole?
You can request a quote for 4-Carboxy-5-(1-Pentyl)Hexylsulfanyl-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 4-Carboxy-5-(1-Pentyl)Hexylsulfanyl-1,2,3-Triazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Carboxy-5-(1-Pentyl)Hexylsulfanyl-1,2,3-Triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.