AB00409163-04
TL;DR: AB00409163-04 (CAS 689750-51-4) is a chemical compound with molecular formula C16H20N4O5S and molecular weight 380.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[5-[[(2,4-dimethoxybenzoyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: AB00409163-04, F0601-0082, methyl 2-((5-((2,4-dimethoxybenzamido)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate, methyl 2-[(5-{[(2,4-dimethoxyphenyl)formamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate, methyl 2-[[5-[[(2,4-dimethoxybenzoyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate
| Molecular Formula | C16H20N4O5S |
|---|---|
| Molecular Weight | 380.12 g/mol |
| LogP | 1.0274 |
| Topological Polar Surface Area | 104.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 380.11545 |
| Heavy Atoms | 26 |
| Complexity | 792.94244 |
Chemical Identifiers
| CAS Number | 689750-51-4 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)OC)CNC(=O)C2=C(C=C(C=C2)OC)OC |
Product Overview
AB00409163-04 (CAS 689750-51-4), with molecular formula C16H20N4O5S and molecular weight 380.12 g/mol. IUPAC: methyl 2-[[5-[[(2,4-dimethoxybenzoyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of AB00409163-04
Property Insights of AB00409163-04
The XLogP value of 1.0274 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00409163-04. The TPSA of 104.57 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00409163-04. Following Lipinski's Rule of Five, AB00409163-04 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 AB00409163-04?
The CAS number of AB00409163-04 is 689750-51-4.
What is the molecular formula of AB00409163-04?
The molecular formula of AB00409163-04 is C16H20N4O5S.
What is the molecular weight of AB00409163-04?
The molecular weight of AB00409163-04 is 380.12 g/mol.
Where can I buy AB00409163-04?
You can request a quote for AB00409163-04 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00409163-04?
Yes, KEHONG BIO provides custom synthesis services for AB00409163-04 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.