6R-0042
TL;DR: 6R-0042 (CAS 439110-98-2) is a chemical compound with molecular formula C24H20Cl2N4OS and molecular weight 482.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(2,4-dichlorophenyl)methyl]-2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
Also Known As: 6R-0042, 6-(2,4-dichlorobenzyl)-2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-ol, 6-[(2,4-dichlorophenyl)methyl]-2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)thiophen-2-yl]-5-methylpyrazolo[1,5-a]pyrimidin-7-ol, 6-[(2,4-dichlorophenyl)methyl]-2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
| Molecular Formula | C24H20Cl2N4OS |
|---|---|
| Molecular Weight | 482.07 g/mol |
| LogP | 6.36466 |
| Topological Polar Surface Area | 55.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 482.0735 |
| Heavy Atoms | 32 |
| Complexity | 1520.158 |
Chemical Identifiers
| CAS Number | 439110-98-2 |
|---|---|
| SMILES | CC1=CC=C(N1C2=C(SC=C2)C3=CC4=NC(=C(C(=O)N4N3)CC5=C(C=C(C=C5)Cl)Cl)C)C |
Product Overview
6R-0042 (CAS 439110-98-2), with molecular formula C24H20Cl2N4OS and molecular weight 482.07 g/mol. IUPAC: 6-[(2,4-dichlorophenyl)methyl]-2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
Chemical Property Profile of 6R-0042
Property Insights of 6R-0042
The XLogP value of 6.36466 indicates that 6R-0042 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.09 Ų, 6R-0042 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6R-0042 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6R-0042?
The CAS number of 6R-0042 is 439110-98-2.
What is the molecular formula of 6R-0042?
The molecular formula of 6R-0042 is C24H20Cl2N4OS.
What is the molecular weight of 6R-0042?
The molecular weight of 6R-0042 is 482.07 g/mol.
Where can I buy 6R-0042?
You can request a quote for 6R-0042 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6R-0042?
Yes, KEHONG BIO provides custom synthesis services for 6R-0042 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.