BAS 01917919
TL;DR: BAS 01917919 (CAS 332935-76-9) is a chemical compound with molecular formula C21H21ClN2O5 and molecular weight 416.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
Also Known As: BAS 01917919, F0742-0106, 4-[3-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid, 4-[5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid, 4-(3-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid
| Molecular Formula | C21H21ClN2O5 |
|---|---|
| Molecular Weight | 416.11 g/mol |
| LogP | 3.8997 |
| Topological Polar Surface Area | 88.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.1139 |
| Heavy Atoms | 29 |
| Complexity | 942.5877 |
Chemical Identifiers
| CAS Number | 332935-76-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2CC(=NN2C(=O)CCC(=O)O)C3=CC=C(C=C3)Cl)OC |
Product Overview
BAS 01917919 (CAS 332935-76-9), with molecular formula C21H21ClN2O5 and molecular weight 416.11 g/mol. IUPAC: 4-[5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid.
Chemical Property Profile of BAS 01917919
Property Insights of BAS 01917919
The XLogP value of 3.8997 indicates that BAS 01917919 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.43 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01917919. Following Lipinski's Rule of Five, BAS 01917919 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 BAS 01917919?
The CAS number of BAS 01917919 is 332935-76-9.
What is the molecular formula of BAS 01917919?
The molecular formula of BAS 01917919 is C21H21ClN2O5.
What is the molecular weight of BAS 01917919?
The molecular weight of BAS 01917919 is 416.11 g/mol.
Where can I buy BAS 01917919?
You can request a quote for BAS 01917919 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01917919?
Yes, KEHONG BIO provides custom synthesis services for BAS 01917919 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.