BAS 06591431
TL;DR: BAS 06591431 (CAS 701227-64-7) is a chemical compound with molecular formula C20H18N2O5 and molecular weight 366.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(3,4-dimethoxyphenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
Also Known As: BAS 06591431, [3-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl](furan-2-yl)methanone, [5-(3,4-dimethoxyphenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone, 3-(3,4-dimethoxyphenyl)-5-(2-furyl)(2-pyrazolinyl) 2-furyl ketone, [3-(3,4-Dimethoxy-phenyl)-5-furan-2-yl-4,5-dihydro-pyrazol-1-yl]-furan-2-yl-methanone
| Molecular Formula | C20H18N2O5 |
|---|---|
| Molecular Weight | 366.12 g/mol |
| LogP | 3.8813 |
| Topological Polar Surface Area | 77.41 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 366.12158 |
| Heavy Atoms | 27 |
| Complexity | 960.44073 |
Chemical Identifiers
| CAS Number | 701227-64-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN(C(C2)C3=CC=CO3)C(=O)C4=CC=CO4)OC |
Product Overview
BAS 06591431 (CAS 701227-64-7), with molecular formula C20H18N2O5 and molecular weight 366.12 g/mol. IUPAC: [5-(3,4-dimethoxyphenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone.
Chemical Property Profile of BAS 06591431
Property Insights of BAS 06591431
The XLogP value of 3.8813 indicates that BAS 06591431 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.41 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06591431. Following Lipinski's Rule of Five, BAS 06591431 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 06591431?
The CAS number of BAS 06591431 is 701227-64-7.
What is the molecular formula of BAS 06591431?
The molecular formula of BAS 06591431 is C20H18N2O5.
What is the molecular weight of BAS 06591431?
The molecular weight of BAS 06591431 is 366.12 g/mol.
Where can I buy BAS 06591431?
You can request a quote for BAS 06591431 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06591431?
Yes, KEHONG BIO provides custom synthesis services for BAS 06591431 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.