AB00599483-06
TL;DR: AB00599483-06 (CAS 866345-89-3) is a chemical compound with molecular formula C20H20N6O5 and molecular weight 424.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]triazole-4-carboxamide
Also Known As: AB00599483-06, 5-amino-1-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}-N-[(3-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide, F1602-0575, 5-amino-1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-N-(3-methoxybenzyl)-1H-1,2,3-triazole-4-carboxamide, 5-amino-1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]triazole-4-carboxamide
| Molecular Formula | C20H20N6O5 |
|---|---|
| Molecular Weight | 424.15 g/mol |
| LogP | 1.1663 |
| Topological Polar Surface Area | 142.62 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 424.1495 |
| Heavy Atoms | 31 |
| Complexity | 1128.9983 |
Chemical Identifiers
| CAS Number | 866345-89-3 |
|---|---|
| SMILES | COC1=CC=CC(=C1)CNC(=O)C2=C(N(N=N2)CC(=O)NC3=CC4=C(C=C3)OCO4)N |
Product Overview
AB00599483-06 (CAS 866345-89-3), with molecular formula C20H20N6O5 and molecular weight 424.15 g/mol. IUPAC: 5-amino-1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]triazole-4-carboxamide.
Chemical Property Profile of AB00599483-06
Property Insights of AB00599483-06
The XLogP value of 1.1663 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00599483-06. The TPSA of 142.62 Ų indicates high polarity, suggesting AB00599483-06 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AB00599483-06 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 AB00599483-06?
The CAS number of AB00599483-06 is 866345-89-3.
What is the molecular formula of AB00599483-06?
The molecular formula of AB00599483-06 is C20H20N6O5.
What is the molecular weight of AB00599483-06?
The molecular weight of AB00599483-06 is 424.15 g/mol.
Where can I buy AB00599483-06?
You can request a quote for AB00599483-06 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00599483-06?
Yes, KEHONG BIO provides custom synthesis services for AB00599483-06 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.