BAS 06591438
TL;DR: BAS 06591438 (CAS 799258-18-7) is a chemical compound with molecular formula C18H18N2O5 and molecular weight 342.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(furan-2-yl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
Also Known As: BAS 06591438, 4-[5-(furan-2-yl)-3-(3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid, 4-(5-(furan-2-yl)-3-(3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid, 4-[3-(furan-2-yl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
| Molecular Formula | C18H18N2O5 |
|---|---|
| Molecular Weight | 342.12 g/mol |
| LogP | 2.8307 |
| Topological Polar Surface Area | 92.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 342.12158 |
| Heavy Atoms | 25 |
| Complexity | 797.55756 |
Chemical Identifiers
| CAS Number | 799258-18-7 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2=NN(C(C2)C3=CC=CO3)C(=O)CCC(=O)O |
Product Overview
BAS 06591438 (CAS 799258-18-7), with molecular formula C18H18N2O5 and molecular weight 342.12 g/mol. IUPAC: 4-[3-(furan-2-yl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid.
Chemical Property Profile of BAS 06591438
Property Insights of BAS 06591438
The XLogP value of 2.8307 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 06591438. The TPSA of 92.34 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06591438. Following Lipinski's Rule of Five, BAS 06591438 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 06591438?
The CAS number of BAS 06591438 is 799258-18-7.
What is the molecular formula of BAS 06591438?
The molecular formula of BAS 06591438 is C18H18N2O5.
What is the molecular weight of BAS 06591438?
The molecular weight of BAS 06591438 is 342.12 g/mol.
Where can I buy BAS 06591438?
You can request a quote for BAS 06591438 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06591438?
Yes, KEHONG BIO provides custom synthesis services for BAS 06591438 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.