A3387/0143686
TL;DR: A3387/0143686 (CAS 696616-05-4) is a chemical compound with molecular formula C18H22N8O3S and molecular weight 430.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: A3387/0143686, F2592-0036, METHYL 2-(2-{[5,7-BIS(ETHYLAMINO)-[1,2,4]TRIAZOLO[4,3-A][1,3,5]TRIAZIN-3-YL]SULFANYL}ACETAMIDO)BENZOATE, methyl 2-[({[5,7-bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}acetyl)amino]benzoate, methyl 2-[[2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C18H22N8O3S |
|---|---|
| Molecular Weight | 430.15 g/mol |
| LogP | 1.9003 |
| Topological Polar Surface Area | 135.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 430.15356 |
| Heavy Atoms | 30 |
| Complexity | 1055.0875 |
Chemical Identifiers
| CAS Number | 696616-05-4 |
|---|---|
| SMILES | CCNC1=NC2=NN=C(N2C(=N1)NCC)SCC(=O)NC3=CC=CC=C3C(=O)OC |
Product Overview
A3387/0143686 (CAS 696616-05-4), with molecular formula C18H22N8O3S and molecular weight 430.15 g/mol. IUPAC: methyl 2-[[2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of A3387/0143686
Property Insights of A3387/0143686
The XLogP value of 1.9003 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3387/0143686. The TPSA of 135.43 Ų falls within the moderate polarity range, balancing permeability and solubility for A3387/0143686. Following Lipinski's Rule of Five, A3387/0143686 has 3 hydrogen bond donor(s) and 10 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 A3387/0143686?
The CAS number of A3387/0143686 is 696616-05-4.
What is the molecular formula of A3387/0143686?
The molecular formula of A3387/0143686 is C18H22N8O3S.
What is the molecular weight of A3387/0143686?
The molecular weight of A3387/0143686 is 430.15 g/mol.
Where can I buy A3387/0143686?
You can request a quote for A3387/0143686 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3387/0143686?
Yes, KEHONG BIO provides custom synthesis services for A3387/0143686 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.