AB00103522-01
TL;DR: AB00103522-01 (CAS 347397-32-4) is a chemical compound with molecular formula C18H14IN5O2 and molecular weight 459.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-iodo-6-methoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]methyl]benzonitrile
Also Known As: AB00103522-01, AO-299/14934015, 2-({2-iodo-6-methoxy-4-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenoxy}methyl)benzonitrile, 2-[[2-iodo-6-methoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]methyl]benzonitrile, 2-({2-iodo-6-methoxy-4-[(4H-1,2,4-triazol-4-ylimino)methyl]phenoxy}methyl)benzonitrile
| Molecular Formula | C18H14IN5O2 |
|---|---|
| Molecular Weight | 459.02 g/mol |
| LogP | 3.22418 |
| Topological Polar Surface Area | 85.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 459.01923 |
| Heavy Atoms | 26 |
| Complexity | 964.20795 |
Chemical Identifiers
| CAS Number | 347397-32-4 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)/C=N/N2C=NN=C2)I)OCC3=CC=CC=C3C#N |
Product Overview
AB00103522-01 (CAS 347397-32-4), with molecular formula C18H14IN5O2 and molecular weight 459.02 g/mol. IUPAC: 2-[[2-iodo-6-methoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]methyl]benzonitrile.
Chemical Property Profile of AB00103522-01
Property Insights of AB00103522-01
The XLogP value of 3.22418 indicates that AB00103522-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.32 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00103522-01. Following Lipinski's Rule of Five, AB00103522-01 has 0 hydrogen bond donor(s) and 6 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 AB00103522-01?
The CAS number of AB00103522-01 is 347397-32-4.
What is the molecular formula of AB00103522-01?
The molecular formula of AB00103522-01 is C18H14IN5O2.
What is the molecular weight of AB00103522-01?
The molecular weight of AB00103522-01 is 459.02 g/mol.
Where can I buy AB00103522-01?
You can request a quote for AB00103522-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00103522-01?
Yes, KEHONG BIO provides custom synthesis services for AB00103522-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.