BAS 12917122
TL;DR: BAS 12917122 (CAS 871307-93-6) is a chemical compound with molecular formula C22H20N2O5 and molecular weight 392.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(3,4-dimethoxyphenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
Also Known As: BAS 12917122, F3085-0036, [5-(3,4-dimethoxyphenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone, 2-[3-(3,4-dimethoxyphenyl)-1-(furan-2-carbonyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol, (3-(3,4-dimethoxyphenyl)-5-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)(furan-2-yl)methanone
| Molecular Formula | C22H20N2O5 |
|---|---|
| Molecular Weight | 392.14 g/mol |
| LogP | 3.9939 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.1372 |
| Heavy Atoms | 29 |
| Complexity | 1058.8243 |
Chemical Identifiers
| CAS Number | 871307-93-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN(C(C2)C3=CC=CC=C3O)C(=O)C4=CC=CO4)OC |
Product Overview
BAS 12917122 (CAS 871307-93-6), with molecular formula C22H20N2O5 and molecular weight 392.14 g/mol. IUPAC: [5-(3,4-dimethoxyphenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone.
Chemical Property Profile of BAS 12917122
Property Insights of BAS 12917122
The XLogP value of 3.9939 indicates that BAS 12917122 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12917122. Following Lipinski's Rule of Five, BAS 12917122 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 12917122?
The CAS number of BAS 12917122 is 871307-93-6.
What is the molecular formula of BAS 12917122?
The molecular formula of BAS 12917122 is C22H20N2O5.
What is the molecular weight of BAS 12917122?
The molecular weight of BAS 12917122 is 392.14 g/mol.
Where can I buy BAS 12917122?
You can request a quote for BAS 12917122 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12917122?
Yes, KEHONG BIO provides custom synthesis services for BAS 12917122 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.