AB00686184-01
TL;DR: AB00686184-01 (CAS 865655-74-9) is a chemical compound with molecular formula C22H26N6O5 and molecular weight 454.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[2-(2-methoxyanilino)-2-oxoethyl]triazole-4-carboxamide
Also Known As: AB00686184-01, 5-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-{[(2-methoxyphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide, F1601-0117, 5-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[2-(2-methoxyanilino)-2-oxoethyl]triazole-4-carboxamide, 5-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-{2-[(2-methoxyphenyl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4-carboxamide
| Molecular Formula | C22H26N6O5 |
|---|---|
| Molecular Weight | 454.20 g/mol |
| LogP | 1.4973 |
| Topological Polar Surface Area | 142.62 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 454.19647 |
| Heavy Atoms | 33 |
| Complexity | 1130.2142 |
Chemical Identifiers
| CAS Number | 865655-74-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)C2=C(N(N=N2)CC(=O)NC3=CC=CC=C3OC)N)OC |
Product Overview
AB00686184-01 (CAS 865655-74-9), with molecular formula C22H26N6O5 and molecular weight 454.20 g/mol. IUPAC: 5-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[2-(2-methoxyanilino)-2-oxoethyl]triazole-4-carboxamide.
Chemical Property Profile of AB00686184-01
Property Insights of AB00686184-01
The XLogP value of 1.4973 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00686184-01. The TPSA of 142.62 Ų indicates high polarity, suggesting AB00686184-01 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AB00686184-01 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 AB00686184-01?
The CAS number of AB00686184-01 is 865655-74-9.
What is the molecular formula of AB00686184-01?
The molecular formula of AB00686184-01 is C22H26N6O5.
What is the molecular weight of AB00686184-01?
The molecular weight of AB00686184-01 is 454.20 g/mol.
Where can I buy AB00686184-01?
You can request a quote for AB00686184-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00686184-01?
Yes, KEHONG BIO provides custom synthesis services for AB00686184-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.