AB00667986-01
TL;DR: AB00667986-01 (CAS 394214-84-7) is a chemical compound with molecular formula C22H20FN7O3S2 and molecular weight 513.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(4-fluorophenyl)-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenoxyacetamide
Also Known As: AB00667986-01, F0508-3071, N-((4-(4-fluorophenyl)-5-((2-((5-methyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-2-phenoxyacetamide, N-{[4-(4-fluorophenyl)-5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2-phenoxyacetamide, N-[[4-(4-fluorophenyl)-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenoxyacetamide
| Molecular Formula | C22H20FN7O3S2 |
|---|---|
| Molecular Weight | 513.11 g/mol |
| LogP | 2.99232 |
| Topological Polar Surface Area | 123.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 513.1053 |
| Heavy Atoms | 35 |
| Complexity | 1296.1439 |
Chemical Identifiers
| CAS Number | 394214-84-7 |
|---|---|
| SMILES | CC1=NN=C(S1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)CNC(=O)COC4=CC=CC=C4 |
Product Overview
AB00667986-01 (CAS 394214-84-7), with molecular formula C22H20FN7O3S2 and molecular weight 513.11 g/mol. IUPAC: N-[[4-(4-fluorophenyl)-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenoxyacetamide.
Chemical Property Profile of AB00667986-01
Property Insights of AB00667986-01
The XLogP value of 2.99232 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00667986-01. The TPSA of 123.92 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00667986-01. Following Lipinski's Rule of Five, AB00667986-01 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00667986-01?
The CAS number of AB00667986-01 is 394214-84-7.
What is the molecular formula of AB00667986-01?
The molecular formula of AB00667986-01 is C22H20FN7O3S2.
What is the molecular weight of AB00667986-01?
The molecular weight of AB00667986-01 is 513.11 g/mol.
Where can I buy AB00667986-01?
You can request a quote for AB00667986-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00667986-01?
Yes, KEHONG BIO provides custom synthesis services for AB00667986-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.