AO-081/15570035
TL;DR: AO-081/15570035 (CAS 432530-00-2) is a chemical compound with molecular formula C18H16N6 and molecular weight 316.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(2,5-dimethyl-1-quinolin-6-ylpyrrol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine
Also Known As: AO-081/15570035, (E)-1-(2,5-dimethyl-1-quinolin-6-ylpyrrol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine, 1-(2,5-dimethyl-1-quinolin-6-ylpyrrol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine, N-{(E)-[2,5-dimethyl-1-(quinolin-6-yl)-1H-pyrrol-3-yl]methylidene}-4H-1,2,4-triazol-4-amine, N-{(E)-1-[2,5-DIMETHYL-1-(6-QUINOLYL)-1H-PYRROL-3-YL]METHYLIDENE}-N-(4H-1,2,4-TRIAZOL-4-YL)AMINE
| Molecular Formula | C18H16N6 |
|---|---|
| Molecular Weight | 316.14 g/mol |
| LogP | 3.11604 |
| Topological Polar Surface Area | 60.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.14365 |
| Heavy Atoms | 24 |
| Complexity | 1027.0425 |
Chemical Identifiers
| CAS Number | 432530-00-2 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC3=C(C=C2)N=CC=C3)C)/C=N/N4C=NN=C4 |
Product Overview
AO-081/15570035 (CAS 432530-00-2), with molecular formula C18H16N6 and molecular weight 316.14 g/mol. IUPAC: (E)-1-(2,5-dimethyl-1-quinolin-6-ylpyrrol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine.
Chemical Property Profile of AO-081/15570035
Property Insights of AO-081/15570035
The XLogP value of 3.11604 indicates that AO-081/15570035 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.89 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-081/15570035. Following Lipinski's Rule of Five, AO-081/15570035 has 0 hydrogen bond donor(s) and 4 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 AO-081/15570035?
The CAS number of AO-081/15570035 is 432530-00-2.
What is the molecular formula of AO-081/15570035?
The molecular formula of AO-081/15570035 is C18H16N6.
What is the molecular weight of AO-081/15570035?
The molecular weight of AO-081/15570035 is 316.14 g/mol.
Where can I buy AO-081/15570035?
You can request a quote for AO-081/15570035 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/15570035?
Yes, KEHONG BIO provides custom synthesis services for AO-081/15570035 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.