BAS 06591446
TL;DR: BAS 06591446 (CAS 799258-19-8) is a chemical compound with molecular formula C18H18N2O4S and molecular weight 358.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-(3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
Also Known As: BAS 06591446, 4-(3-(3-methoxyphenyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid, 4-[3-(3-Methoxy-phenyl)-5-thiophen-2-yl-4,5-dihydro-pyrazol-1-yl]-4-oxo-butyric, 4-[3-(3-methoxyphenyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid, 4-[5-(3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
| Molecular Formula | C18H18N2O4S |
|---|---|
| Molecular Weight | 358.10 g/mol |
| LogP | 3.2992 |
| Topological Polar Surface Area | 79.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 358.09872 |
| Heavy Atoms | 25 |
| Complexity | 801.16724 |
Chemical Identifiers
| CAS Number | 799258-19-8 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2=NN(C(C2)C3=CC=CS3)C(=O)CCC(=O)O |
Product Overview
BAS 06591446 (CAS 799258-19-8), with molecular formula C18H18N2O4S and molecular weight 358.10 g/mol. IUPAC: 4-[5-(3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid.
Chemical Property Profile of BAS 06591446
Property Insights of BAS 06591446
The XLogP value of 3.2992 indicates that BAS 06591446 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06591446. Following Lipinski's Rule of Five, BAS 06591446 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 06591446?
The CAS number of BAS 06591446 is 799258-19-8.
What is the molecular formula of BAS 06591446?
The molecular formula of BAS 06591446 is C18H18N2O4S.
What is the molecular weight of BAS 06591446?
The molecular weight of BAS 06591446 is 358.10 g/mol.
Where can I buy BAS 06591446?
You can request a quote for BAS 06591446 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06591446?
Yes, KEHONG BIO provides custom synthesis services for BAS 06591446 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.