Cact-A1
TL;DR: Cact-A1 (CAS 354576-90-2) is a chemical compound with molecular formula C16H13N5O and molecular weight 291.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-5-[(Z)-1-cyano-2-(2-prop-2-enoxyphenyl)ethenyl]-1H-pyrazole-4-carbonitrile
Also Known As: Cact-A1, C(act)-A1, BAS 00858152, 3-[2-(2-Allyloxy-phenyl)-1-cyano-vinyl]-5-amino-1H-pyrazole-4-carbonitrile, 3-{2-[2-(allyloxy)phenyl]-1-cyanovinyl}-5-amino-1H-pyrazole-4-carbonitrile
| Molecular Formula | C16H13N5O |
|---|---|
| Molecular Weight | 291.11 g/mol |
| LogP | 2.49256 |
| Topological Polar Surface Area | 111.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 291.112 |
| Heavy Atoms | 22 |
| Complexity | 804.67413 |
Chemical Identifiers
| CAS Number | 354576-90-2 |
|---|---|
| SMILES | C=CCOC1=CC=CC=C1/C=C(\C#N)/C2=C(C(=NN2)N)C#N |
Product Overview
Cact-A1 (CAS 354576-90-2), with molecular formula C16H13N5O and molecular weight 291.11 g/mol. IUPAC: 3-amino-5-[(Z)-1-cyano-2-(2-prop-2-enoxyphenyl)ethenyl]-1H-pyrazole-4-carbonitrile.
Chemical Property Profile of Cact-A1
Property Insights of Cact-A1
The XLogP value of 2.49256 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cact-A1. The TPSA of 111.51 Ų falls within the moderate polarity range, balancing permeability and solubility for Cact-A1. Following Lipinski's Rule of Five, Cact-A1 has 2 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 Cact-A1?
The CAS number of Cact-A1 is 354576-90-2.
What is the molecular formula of Cact-A1?
The molecular formula of Cact-A1 is C16H13N5O.
What is the molecular weight of Cact-A1?
The molecular weight of Cact-A1 is 291.11 g/mol.
Where can I buy Cact-A1?
You can request a quote for Cact-A1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cact-A1?
Yes, KEHONG BIO provides custom synthesis services for Cact-A1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.