5-(3,7,11-三甲基十二碳-2,6,10-三烯基硫基)-1H-1,2,4-三唑
TL;DR: 5-(3,7,11-三甲基十二碳-2,6,10-三烯基硫基)-1H-1,2,4-三唑 (CAS 156604-45-4) is a chemical compound with molecular formula C17H27N3S and molecular weight 305.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3,7,11-三甲基十二碳-2,6,10-三烯基硫基)-1H-1,2,4-三唑
5-(3,7,11-trimethyldodeca-2,6,10-trienylsulfanyl)-1H-1,2,4-triazole
Also Known As: Farnesylthiotriazole, Imatinib mesylate, Farnesyl thiotriazole, 5-(3,7,11-trimethyldodeca-2,6,10-trienylthio)-1H-1,2,4-triazole, 5-(3,7,11-trimethyldodeca-2,6,10-trienylsulfanyl)-1H-1,2,4-triazole
| Molecular Formula | C17H27N3S |
|---|---|
| Molecular Weight | 305.19 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 305.19257 |
| Heavy Atoms | 21 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 156604-45-4 |
|---|---|
| SMILES | CC(=CCCC(=CCCC(=CCSC1=NC=NN1)C)C)C |
| InChIKey | QFXNCKFWHATRCH-UHFFFAOYSA-N |
Product Overview
5-(3,7,11-三甲基十二碳-2,6,10-三烯基硫基)-1H-1,2,4-三唑 (CAS 156604-45-4), with molecular formula C17H27N3S and molecular weight 305.19 g/mol. IUPAC: 5-(3,7,11-trimethyldodeca-2,6,10-trienylsulfanyl)-1H-1,2,4-triazole.
Chemical Property Profile of 5-(3,7,11-三甲基十二碳-2,6,10-三烯基硫基)-1H-1,2,4-三唑
Property Insights of 5-(3,7,11-三甲基十二碳-2,6,10-三烯基硫基)-1H-1,2,4-三唑
The XLogP value of 6.0 indicates that 5-(3,7,11-三甲基十二碳-2,6,10-三烯基硫基)-1H-1,2,4-三唑 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3,7,11-三甲基十二碳-2,6,10-三烯基硫基)-1H-1,2,4-三唑. Following Lipinski's Rule of Five, 5-(3,7,11-三甲基十二碳-2,6,10-三烯基硫基)-1H-1,2,4-三唑 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(3,7,11-三甲基十二碳-2,6,10-三烯基硫基)-1H-1,2,4-三唑?
The CAS number of 5-(3,7,11-三甲基十二碳-2,6,10-三烯基硫基)-1H-1,2,4-三唑 is 156604-45-4.
What is the molecular formula of 5-(3,7,11-三甲基十二碳-2,6,10-三烯基硫基)-1H-1,2,4-三唑?
The molecular formula of 5-(3,7,11-三甲基十二碳-2,6,10-三烯基硫基)-1H-1,2,4-三唑 is C17H27N3S.
What is the molecular weight of 5-(3,7,11-三甲基十二碳-2,6,10-三烯基硫基)-1H-1,2,4-三唑?
The molecular weight of 5-(3,7,11-三甲基十二碳-2,6,10-三烯基硫基)-1H-1,2,4-三唑 is 305.19 g/mol.
Where can I buy 5-(3,7,11-三甲基十二碳-2,6,10-三烯基硫基)-1H-1,2,4-三唑?
You can request a quote for 5-(3,7,11-三甲基十二碳-2,6,10-三烯基硫基)-1H-1,2,4-三唑 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3,7,11-三甲基十二碳-2,6,10-三烯基硫基)-1H-1,2,4-三唑?
Yes, KEHONG BIO provides custom synthesis services for 5-(3,7,11-三甲基十二碳-2,6,10-三烯基硫基)-1H-1,2,4-三唑 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.