BRN 0698003
TL;DR: BRN 0698003 (CAS 24664-52-6) is a chemical compound with molecular formula C20H19N3O3 and molecular weight 349.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]benzoate
Also Known As: 5-25-14-00510 (Beilstein Handbook Reference), p-((3-Methyl-5-oxo-1-phenyl-2-pyrazolin-4-ylidene)methylamino)benzoic acid ethyl ester, Benzoic acid, p-((3-methyl-5-oxo-1-phenyl-2-pyrazolin-4-ylidene)methylamino)-, ethyl ester, ethyl 4-[[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]amino]benzoate, ethyl 4-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methylamino]benzoate
| Molecular Formula | C20H19N3O3 |
|---|---|
| Molecular Weight | 349.14 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 71.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 349.14264 |
| Heavy Atoms | 26 |
| Complexity | 585.0 |
Chemical Identifiers
| CAS Number | 24664-52-6 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N=CC2=C(NN(C2=O)C3=CC=CC=C3)C |
| InChIKey | RLAOSFVYZNBJRV-UHFFFAOYSA-N |
Product Overview
BRN 0698003 (CAS 24664-52-6), with molecular formula C20H19N3O3 and molecular weight 349.14 g/mol. IUPAC: ethyl 4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]benzoate.
Chemical Property Profile of BRN 0698003
Property Insights of BRN 0698003
The XLogP value of 3.6 indicates that BRN 0698003 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BRN 0698003. Following Lipinski's Rule of Five, BRN 0698003 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 BRN 0698003?
The CAS number of BRN 0698003 is 24664-52-6.
What is the molecular formula of BRN 0698003?
The molecular formula of BRN 0698003 is C20H19N3O3.
What is the molecular weight of BRN 0698003?
The molecular weight of BRN 0698003 is 349.14 g/mol.
Where can I buy BRN 0698003?
You can request a quote for BRN 0698003 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRN 0698003?
Yes, KEHONG BIO provides custom synthesis services for BRN 0698003 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.