![6-(2-chloro-6-fluorobenzyl)-2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine structure](/static/products/4391/439111-87-2.webp)
6-(2-chloro-6-fluorobenzyl)-2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine
TL;DR: 6-(2-chloro-6-fluorobenzyl)-2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine (CAS 439111-87-2) is a chemical compound with molecular formula C25H22ClFN4S and molecular weight 464.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(2-chloro-6-fluorophenyl)methyl]-2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine
Also Known As: 6-(2-chloro-6-fluorobenzyl)-2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine, 8R-0024, 1-(2-{6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl}thiophen-3-yl)-2,5-dimethyl-1H-pyrrole, 6-[(2-chloro-6-fluorophenyl)methyl]-2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine
| Molecular Formula | C25H22ClFN4S |
|---|---|
| Molecular Weight | 464.12 g/mol |
| LogP | 6.86548 |
| Topological Polar Surface Area | 35.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 464.12378 |
| Heavy Atoms | 32 |
| Complexity | 1437.4015 |
Chemical Identifiers
| CAS Number | 439111-87-2 |
|---|---|
| SMILES | CC1=CC=C(N1C2=C(SC=C2)C3=NN4C(=C(C(=NC4=C3)C)CC5=C(C=CC=C5Cl)F)C)C |
Product Overview
6-(2-chloro-6-fluorobenzyl)-2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine (CAS 439111-87-2), with molecular formula C25H22ClFN4S and molecular weight 464.12 g/mol. IUPAC: 6-[(2-chloro-6-fluorophenyl)methyl]-2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine.
Chemical Property Profile of 6-(2-chloro-6-fluorobenzyl)-2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine
Property Insights of 6-(2-chloro-6-fluorobenzyl)-2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine
The XLogP value of 6.86548 indicates that 6-(2-chloro-6-fluorobenzyl)-2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.12 Ų, 6-(2-chloro-6-fluorobenzyl)-2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(2-chloro-6-fluorobenzyl)-2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine has 0 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 6-(2-chloro-6-fluorobenzyl)-2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
The CAS number of 6-(2-chloro-6-fluorobenzyl)-2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine is 439111-87-2.
What is the molecular formula of 6-(2-chloro-6-fluorobenzyl)-2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
The molecular formula of 6-(2-chloro-6-fluorobenzyl)-2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine is C25H22ClFN4S.
What is the molecular weight of 6-(2-chloro-6-fluorobenzyl)-2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
The molecular weight of 6-(2-chloro-6-fluorobenzyl)-2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine is 464.12 g/mol.
Where can I buy 6-(2-chloro-6-fluorobenzyl)-2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
You can request a quote for 6-(2-chloro-6-fluorobenzyl)-2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(2-chloro-6-fluorobenzyl)-2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 6-(2-chloro-6-fluorobenzyl)-2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.