AB00114719-01
TL;DR: AB00114719-01 (CAS 384356-84-7) is a chemical compound with molecular formula C15H18N4O3S and molecular weight 334.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]benzoate
Also Known As: AB00114719-01, ethyl 4-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]benzoate, 4-[[4-(ethylamino)-6-(methylthio)-1,3,5-triazin-2-yl]oxy]benzoic acid ethyl ester, ethyl 4-((4-(ethylamino)-6-(methylthio)-1,3,5-triazin-2-yl)oxy)benzoate, ethyl 4-{[4-(ethylamino)-6-(methylthio)-1,3,5-triazin-2-yl]oxy}benzoate
| Molecular Formula | C15H18N4O3S |
|---|---|
| Molecular Weight | 334.11 g/mol |
| LogP | 2.9943 |
| Topological Polar Surface Area | 86.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 334.10995 |
| Heavy Atoms | 23 |
| Complexity | 664.2716 |
Chemical Identifiers
| CAS Number | 384356-84-7 |
|---|---|
| SMILES | CCNC1=NC(=NC(=N1)SC)OC2=CC=C(C=C2)C(=O)OCC |
Product Overview
AB00114719-01 (CAS 384356-84-7), with molecular formula C15H18N4O3S and molecular weight 334.11 g/mol. IUPAC: ethyl 4-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]benzoate.
Chemical Property Profile of AB00114719-01
Property Insights of AB00114719-01
The XLogP value of 2.9943 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00114719-01. The TPSA of 86.23 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00114719-01. Following Lipinski's Rule of Five, AB00114719-01 has 1 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 AB00114719-01?
The CAS number of AB00114719-01 is 384356-84-7.
What is the molecular formula of AB00114719-01?
The molecular formula of AB00114719-01 is C15H18N4O3S.
What is the molecular weight of AB00114719-01?
The molecular weight of AB00114719-01 is 334.11 g/mol.
Where can I buy AB00114719-01?
You can request a quote for AB00114719-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00114719-01?
Yes, KEHONG BIO provides custom synthesis services for AB00114719-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.