BAS 00615692
TL;DR: BAS 00615692 (CAS 331839-35-1) is a chemical compound with molecular formula C21H21N3O4 and molecular weight 379.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[3-(4-methoxyphenyl)-5-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]pent-3-en-2-one
Also Known As: BAS 00615692, (E)-4-[3-(4-methoxyphenyl)-5-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]pent-3-en-2-one, 4-[3-{3-nitrophenyl}-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-3-penten-2-one, 4-[5-(4-Methoxy-phenyl)-3-(3-nitro-phenyl)-4,5-dihydro-pyrazol-1-yl]-pent-3-en-2-one, (3E)-4-[5-(4-methoxyphenyl)-3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]pent-3-en-2-one
| Molecular Formula | C21H21N3O4 |
|---|---|
| Molecular Weight | 379.15 g/mol |
| LogP | 4.2473 |
| Topological Polar Surface Area | 85.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 379.1532 |
| Heavy Atoms | 28 |
| Complexity | 963.8709 |
Chemical Identifiers
| CAS Number | 331839-35-1 |
|---|---|
| SMILES | C/C(=C\C(=O)C)/N1C(CC(=N1)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC |
Product Overview
BAS 00615692 (CAS 331839-35-1), with molecular formula C21H21N3O4 and molecular weight 379.15 g/mol. IUPAC: (E)-4-[3-(4-methoxyphenyl)-5-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]pent-3-en-2-one.
Chemical Property Profile of BAS 00615692
Property Insights of BAS 00615692
The XLogP value of 4.2473 indicates that BAS 00615692 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.04 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00615692. Following Lipinski's Rule of Five, BAS 00615692 has 0 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 00615692?
The CAS number of BAS 00615692 is 331839-35-1.
What is the molecular formula of BAS 00615692?
The molecular formula of BAS 00615692 is C21H21N3O4.
What is the molecular weight of BAS 00615692?
The molecular weight of BAS 00615692 is 379.15 g/mol.
Where can I buy BAS 00615692?
You can request a quote for BAS 00615692 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00615692?
Yes, KEHONG BIO provides custom synthesis services for BAS 00615692 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.