AO-990/15068021
TL;DR: AO-990/15068021 (CAS 1131604-74-4) is a chemical compound with molecular formula C23H19BrN6O3 and molecular weight 506.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-amino-3-[[4-[(4-bromo-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methoxy]-3-methoxyphenyl]methylideneamino]but-2-enedinitrile
Also Known As: AO-990/15068021, (2Z)-2-amino-3-[(E)-({4-[(4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methoxy]-3-methoxyphenyl}methylidene)amino]but-2-enedinitrile, (Z)-2-amino-3-[[4-[(4-bromo-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methoxy]-3-methoxyphenyl]methylideneamino]but-2-enedinitrile, 2-amino-3-({4-[(4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methoxy]-3-methoxybenzylidene}amino)-2-butenedinitrile, 2-amino-3-[({4-[(4-bromo-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methoxy]-3-methoxyphenyl}methylidene)amino]but-2-enedinitrile
| Molecular Formula | C23H19BrN6O3 |
|---|---|
| Molecular Weight | 506.07 g/mol |
| LogP | 3.16246 |
| Topological Polar Surface Area | 131.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 506.0702 |
| Heavy Atoms | 33 |
| Complexity | 1374.1489 |
Chemical Identifiers
| CAS Number | 1131604-74-4 |
|---|---|
| SMILES | CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)COC3=C(C=C(C=C3)C=N/C(=C(/C#N)\N)/C#N)OC |
Product Overview
AO-990/15068021 (CAS 1131604-74-4), with molecular formula C23H19BrN6O3 and molecular weight 506.07 g/mol. IUPAC: (Z)-2-amino-3-[[4-[(4-bromo-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methoxy]-3-methoxyphenyl]methylideneamino]but-2-enedinitrile.
Chemical Property Profile of AO-990/15068021
Property Insights of AO-990/15068021
The XLogP value of 3.16246 indicates that AO-990/15068021 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.35 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-990/15068021. Following Lipinski's Rule of Five, AO-990/15068021 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AO-990/15068021?
The CAS number of AO-990/15068021 is 1131604-74-4.
What is the molecular formula of AO-990/15068021?
The molecular formula of AO-990/15068021 is C23H19BrN6O3.
What is the molecular weight of AO-990/15068021?
The molecular weight of AO-990/15068021 is 506.07 g/mol.
Where can I buy AO-990/15068021?
You can request a quote for AO-990/15068021 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-990/15068021?
Yes, KEHONG BIO provides custom synthesis services for AO-990/15068021 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.