BAS 06591434
TL;DR: BAS 06591434 (CAS 701229-77-8) is a chemical compound with molecular formula C19H20N2O5S and molecular weight 388.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-(3,4-dimethoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
Also Known As: BAS 06591434, 4-[5-(3,4-dimethoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid, 4-(3-(3,4-dimethoxyphenyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid, 4-[3-(3,4-dimethoxyphenyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
| Molecular Formula | C19H20N2O5S |
|---|---|
| Molecular Weight | 388.11 g/mol |
| LogP | 3.3078 |
| Topological Polar Surface Area | 88.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 388.10928 |
| Heavy Atoms | 27 |
| Complexity | 862.98987 |
Chemical Identifiers
| CAS Number | 701229-77-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN(C(C2)C3=CC=CS3)C(=O)CCC(=O)O)OC |
Product Overview
BAS 06591434 (CAS 701229-77-8), with molecular formula C19H20N2O5S and molecular weight 388.11 g/mol. IUPAC: 4-[5-(3,4-dimethoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid.
Chemical Property Profile of BAS 06591434
Property Insights of BAS 06591434
The XLogP value of 3.3078 indicates that BAS 06591434 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 06591434. Following Lipinski's Rule of Five, BAS 06591434 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 06591434?
The CAS number of BAS 06591434 is 701229-77-8.
What is the molecular formula of BAS 06591434?
The molecular formula of BAS 06591434 is C19H20N2O5S.
What is the molecular weight of BAS 06591434?
The molecular weight of BAS 06591434 is 388.11 g/mol.
Where can I buy BAS 06591434?
You can request a quote for BAS 06591434 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06591434?
Yes, KEHONG BIO provides custom synthesis services for BAS 06591434 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.