BAS 00858142
TL;DR: BAS 00858142 (CAS 5433-93-2) is a chemical compound with molecular formula C16H15N5O2 and molecular weight 309.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-5-[1-cyano-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-1H-pyrazole-4-carbonitrile
Also Known As: BAS 00858142, 3-amino-5-[1-cyano-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-1H-pyrazole-4-carbonitrile, 3-Amino-5-[1-cyano-2-(4-ethoxy-3-methoxyphenyl)ethen-1-yl]-1H-pyrazole-4-carbonitrile
| Molecular Formula | C16H15N5O2 |
|---|---|
| Molecular Weight | 309.12 g/mol |
| LogP | 2.33506 |
| Topological Polar Surface Area | 120.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 309.1226 |
| Heavy Atoms | 23 |
| Complexity | 823.97174 |
Chemical Identifiers
| CAS Number | 5433-93-2 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C=C(C#N)C2=C(C(=NN2)N)C#N)OC |
Product Overview
BAS 00858142 (CAS 5433-93-2), with molecular formula C16H15N5O2 and molecular weight 309.12 g/mol. IUPAC: 3-amino-5-[1-cyano-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-1H-pyrazole-4-carbonitrile.
Chemical Property Profile of BAS 00858142
Property Insights of BAS 00858142
The XLogP value of 2.33506 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00858142. The TPSA of 120.74 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00858142. Following Lipinski's Rule of Five, BAS 00858142 has 2 hydrogen bond donor(s) and 6 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 00858142?
The CAS number of BAS 00858142 is 5433-93-2.
What is the molecular formula of BAS 00858142?
The molecular formula of BAS 00858142 is C16H15N5O2.
What is the molecular weight of BAS 00858142?
The molecular weight of BAS 00858142 is 309.12 g/mol.
Where can I buy BAS 00858142?
You can request a quote for BAS 00858142 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00858142?
Yes, KEHONG BIO provides custom synthesis services for BAS 00858142 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.