BAS 02072388
TL;DR: BAS 02072388 (CAS 333304-96-4) is a chemical compound with molecular formula C21H21N3O6 and molecular weight 411.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[5-(4-methoxyphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid
Also Known As: BAS 02072388, 5-[5-(4-methoxyphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid, 5-[3-(4-methoxyphenyl)-5-(3-nitrophenyl)(2-pyrazolinyl)]-5-oxopentanoic acid, 5-(3-(4-methoxyphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-5-oxopentanoic acid, 5-[3-(4-methoxyphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoic acid
| Molecular Formula | C21H21N3O6 |
|---|---|
| Molecular Weight | 411.14 g/mol |
| LogP | 3.536 |
| Topological Polar Surface Area | 122.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 411.14304 |
| Heavy Atoms | 30 |
| Complexity | 986.49115 |
Chemical Identifiers
| CAS Number | 333304-96-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)CCCC(=O)O |
Product Overview
BAS 02072388 (CAS 333304-96-4), with molecular formula C21H21N3O6 and molecular weight 411.14 g/mol. IUPAC: 5-[5-(4-methoxyphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid.
Chemical Property Profile of BAS 02072388
Property Insights of BAS 02072388
The XLogP value of 3.536 indicates that BAS 02072388 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.34 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02072388. Following Lipinski's Rule of Five, BAS 02072388 has 1 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 02072388?
The CAS number of BAS 02072388 is 333304-96-4.
What is the molecular formula of BAS 02072388?
The molecular formula of BAS 02072388 is C21H21N3O6.
What is the molecular weight of BAS 02072388?
The molecular weight of BAS 02072388 is 411.14 g/mol.
Where can I buy BAS 02072388?
You can request a quote for BAS 02072388 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02072388?
Yes, KEHONG BIO provides custom synthesis services for BAS 02072388 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.