AB00092704-01
TL;DR: AB00092704-01 (CAS 353514-41-7) is a chemical compound with molecular formula C22H18BrN5O and molecular weight 447.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-3-[(Z)-2-(5-bromo-2-propan-2-yloxyphenyl)-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile
Also Known As: AB00092704-01, A1707/0072717, 5-amino-3-[2-(5-bromo-2-isopropoxyphenyl)-1-cyanovinyl]-1-phenyl-1H-pyrazole-4-carbonitrile, 5-amino-3-[(Z)-2-(5-bromo-2-propan-2-yloxyphenyl)-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile, 5-AMINO-3-[(1Z)-2-[5-BROMO-2-(PROPAN-2-YLOXY)PHENYL]-1-CYANOETH-1-EN-1-YL]-1-PHENYL-1H-PYRAZOLE-4-CARBONITRILE
| Molecular Formula | C22H18BrN5O |
|---|---|
| Molecular Weight | 447.07 g/mol |
| LogP | 4.94006 |
| Topological Polar Surface Area | 100.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.06946 |
| Heavy Atoms | 29 |
| Complexity | 1150.4263 |
Chemical Identifiers
| CAS Number | 353514-41-7 |
|---|---|
| SMILES | CC(C)OC1=C(C=C(C=C1)Br)/C=C(\C#N)/C2=NN(C(=C2C#N)N)C3=CC=CC=C3 |
Product Overview
AB00092704-01 (CAS 353514-41-7), with molecular formula C22H18BrN5O and molecular weight 447.07 g/mol. IUPAC: 5-amino-3-[(Z)-2-(5-bromo-2-propan-2-yloxyphenyl)-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile.
Chemical Property Profile of AB00092704-01
Property Insights of AB00092704-01
The XLogP value of 4.94006 indicates that AB00092704-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.65 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00092704-01. Following Lipinski's Rule of Five, AB00092704-01 has 1 hydrogen bond donor(s) and 5 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 AB00092704-01?
The CAS number of AB00092704-01 is 353514-41-7.
What is the molecular formula of AB00092704-01?
The molecular formula of AB00092704-01 is C22H18BrN5O.
What is the molecular weight of AB00092704-01?
The molecular weight of AB00092704-01 is 447.07 g/mol.
Where can I buy AB00092704-01?
You can request a quote for AB00092704-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00092704-01?
Yes, KEHONG BIO provides custom synthesis services for AB00092704-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.