BAS 00442694
TL;DR: BAS 00442694 (CAS 746604-46-6) is a chemical compound with molecular formula C15H11Cl2N5O and molecular weight 347.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-3-[(Z)-1-cyano-2-(2,6-dichlorophenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
Also Known As: BAS 00442694, AB00087987-01, A1475/0065087, 5-amino-3-[(Z)-1-cyano-2-(2,6-dichlorophenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile, 5-amino-3-[1-cyano-2-(2,6-dichlorophenyl)vinyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
| Molecular Formula | C15H11Cl2N5O |
|---|---|
| Molecular Weight | 347.03 g/mol |
| LogP | 2.70026 |
| Topological Polar Surface Area | 111.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.03406 |
| Heavy Atoms | 23 |
| Complexity | 837.7229 |
Chemical Identifiers
| CAS Number | 746604-46-6 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)/C=C(\C#N)/C2=NN(C(=C2C#N)N)CCO)Cl |
Product Overview
BAS 00442694 (CAS 746604-46-6), with molecular formula C15H11Cl2N5O and molecular weight 347.03 g/mol. IUPAC: 5-amino-3-[(Z)-1-cyano-2-(2,6-dichlorophenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile.
Chemical Property Profile of BAS 00442694
Property Insights of BAS 00442694
The XLogP value of 2.70026 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00442694. The TPSA of 111.65 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00442694. Following Lipinski's Rule of Five, BAS 00442694 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 BAS 00442694?
The CAS number of BAS 00442694 is 746604-46-6.
What is the molecular formula of BAS 00442694?
The molecular formula of BAS 00442694 is C15H11Cl2N5O.
What is the molecular weight of BAS 00442694?
The molecular weight of BAS 00442694 is 347.03 g/mol.
Where can I buy BAS 00442694?
You can request a quote for BAS 00442694 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00442694?
Yes, KEHONG BIO provides custom synthesis services for BAS 00442694 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.