AB00686291-01
TL;DR: AB00686291-01 (CAS 892763-57-4) is a chemical compound with molecular formula C18H13ClN6O4 and molecular weight 412.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-3-(3-chloro-4-methoxyphenyl)triazol-4-amine
Also Known As: AB00686291-01, 4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(3-chloro-4-methoxyphenyl)-1H-1,2,3-triazol-5-amine, F1609-0411, 5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-3-(3-chloro-4-methoxyphenyl)triazol-4-amine, 4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(3-chloro-4-methoxyphenyl)-1H-1,2,3-triazol-5-amine
| Molecular Formula | C18H13ClN6O4 |
|---|---|
| Molecular Weight | 412.07 g/mol |
| LogP | 2.9572 |
| Topological Polar Surface Area | 123.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.0687 |
| Heavy Atoms | 29 |
| Complexity | 1221.0393 |
Chemical Identifiers
| CAS Number | 892763-57-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)N2C(=C(N=N2)C3=NC(=NO3)C4=CC5=C(C=C4)OCO5)N)Cl |
Product Overview
AB00686291-01 (CAS 892763-57-4), with molecular formula C18H13ClN6O4 and molecular weight 412.07 g/mol. IUPAC: 5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-3-(3-chloro-4-methoxyphenyl)triazol-4-amine.
Chemical Property Profile of AB00686291-01
Property Insights of AB00686291-01
The XLogP value of 2.9572 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00686291-01. The TPSA of 123.34 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00686291-01. Following Lipinski's Rule of Five, AB00686291-01 has 1 hydrogen bond donor(s) and 9 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 AB00686291-01?
The CAS number of AB00686291-01 is 892763-57-4.
What is the molecular formula of AB00686291-01?
The molecular formula of AB00686291-01 is C18H13ClN6O4.
What is the molecular weight of AB00686291-01?
The molecular weight of AB00686291-01 is 412.07 g/mol.
Where can I buy AB00686291-01?
You can request a quote for AB00686291-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00686291-01?
Yes, KEHONG BIO provides custom synthesis services for AB00686291-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.