BAS 06591435
TL;DR: BAS 06591435 (CAS 799258-16-5) is a chemical compound with molecular formula C20H22N2O5S and molecular weight 402.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[5-(3,4-dimethoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid
Also Known As: BAS 06591435, F3371-0908, 5-(3-(3,4-dimethoxyphenyl)-5-(thiophen-2-yl)-4,5-dihydro-1h-pyrazol-1-yl)-5-oxopentanoic acid, 5-[3-(3,4-dimethoxyphenyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoic acid, 5-[5-(3,4-dimethoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid
| Molecular Formula | C20H22N2O5S |
|---|---|
| Molecular Weight | 402.12 g/mol |
| LogP | 3.6979 |
| Topological Polar Surface Area | 88.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 402.12494 |
| Heavy Atoms | 28 |
| Complexity | 878.72614 |
Chemical Identifiers
| CAS Number | 799258-16-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN(C(C2)C3=CC=CS3)C(=O)CCCC(=O)O)OC |
Product Overview
BAS 06591435 (CAS 799258-16-5), with molecular formula C20H22N2O5S and molecular weight 402.12 g/mol. IUPAC: 5-[5-(3,4-dimethoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid.
Chemical Property Profile of BAS 06591435
Property Insights of BAS 06591435
The XLogP value of 3.6979 indicates that BAS 06591435 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 06591435. Following Lipinski's Rule of Five, BAS 06591435 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 06591435?
The CAS number of BAS 06591435 is 799258-16-5.
What is the molecular formula of BAS 06591435?
The molecular formula of BAS 06591435 is C20H22N2O5S.
What is the molecular weight of BAS 06591435?
The molecular weight of BAS 06591435 is 402.12 g/mol.
Where can I buy BAS 06591435?
You can request a quote for BAS 06591435 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06591435?
Yes, KEHONG BIO provides custom synthesis services for BAS 06591435 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.