RefChem:449808
TL;DR: RefChem:449808 (CAS 565166-68-9) is a chemical compound with molecular formula C10H15N7O2S and molecular weight 297.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]acetic acid
Also Known As: 2-{[bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}acetic acid, (5,7-Bis-ethylamino-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-ylsulfanyl)-acetic acid, 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]acetic acid, 2-[[5,7-Bis(ethylamino)-1,2,4-triazolo[4,3-a][1,3,5]triazin-3-yl]thio]acetic acid, {[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}acetic acid
| Molecular Formula | C10H15N7O2S |
|---|---|
| Molecular Weight | 297.10 g/mol |
| LogP | 0.5596 |
| Topological Polar Surface Area | 117.33 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 297.1008 |
| Heavy Atoms | 20 |
| Complexity | 614.91705 |
Chemical Identifiers
| CAS Number | 565166-68-9 |
|---|---|
| SMILES | CCNC1=NC2=NN=C(N2C(=N1)NCC)SCC(=O)O |
Product Overview
RefChem:449808 (CAS 565166-68-9), with molecular formula C10H15N7O2S and molecular weight 297.10 g/mol. IUPAC: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]acetic acid.
Chemical Property Profile of RefChem:449808
Property Insights of RefChem:449808
The XLogP value of 0.5596 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:449808. The TPSA of 117.33 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:449808. Following Lipinski's Rule of Five, RefChem:449808 has 3 hydrogen bond donor(s) and 8 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 RefChem:449808?
The CAS number of RefChem:449808 is 565166-68-9.
What is the molecular formula of RefChem:449808?
The molecular formula of RefChem:449808 is C10H15N7O2S.
What is the molecular weight of RefChem:449808?
The molecular weight of RefChem:449808 is 297.10 g/mol.
Where can I buy RefChem:449808?
You can request a quote for RefChem:449808 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:449808?
Yes, KEHONG BIO provides custom synthesis services for RefChem:449808 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.