BAS 00548172
TL;DR: BAS 00548172 (CAS 347874-92-4) is a chemical compound with molecular formula C17H17N5O3 and molecular weight 339.13 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-(2,3-dimethoxyphenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
Also Known As: BAS 00548172, A1463/0064494, 5-amino-3-[(Z)-1-cyano-2-(2,3-dimethoxyphenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile, 5-AMINO-3-[(1Z)-1-CYANO-2-(2,3-DIMETHOXYPHENYL)ETH-1-EN-1-YL]-1-(2-HYDROXYETHYL)-1H-PYRAZOLE-4-CARBONITRILE, 5-amino-3-[(Z)-1-cyano-2-(2,3-dimethoxyphenyl)ethenyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
| Molecular Formula | C17H17N5O3 |
|---|---|
| Molecular Weight | 339.13 g/mol |
| LogP | 1.41066 |
| Topological Polar Surface Area | 130.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 339.13315 |
| Heavy Atoms | 25 |
| Complexity | 886.909 |
Chemical Identifiers
| CAS Number | 347874-92-4 |
|---|---|
| SMILES | COC1=CC=CC(=C1OC)/C=C(\C#N)/C2=NN(C(=C2C#N)N)CCO |
Product Overview
BAS 00548172 (CAS 347874-92-4), with molecular formula C17H17N5O3 and molecular weight 339.13 g/mol. IUPAC: 5-amino-3-[(Z)-1-cyano-2-(2,3-dimethoxyphenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile.
Chemical Property Profile of BAS 00548172
Property Insights of BAS 00548172
The XLogP value of 1.41066 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00548172. The TPSA of 130.11 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00548172. Following Lipinski's Rule of Five, BAS 00548172 has 2 hydrogen bond donor(s) and 7 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 00548172?
The CAS number of BAS 00548172 is 347874-92-4.
What is the molecular formula of BAS 00548172?
The molecular formula of BAS 00548172 is C17H17N5O3.
What is the molecular weight of BAS 00548172?
The molecular weight of BAS 00548172 is 339.13 g/mol.
Where can I buy BAS 00548172?
You can request a quote for BAS 00548172 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00548172?
Yes, KEHONG BIO provides custom synthesis services for BAS 00548172 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.