11R-0061
TL;DR: 11R-0061 (CAS 691868-66-3) is a chemical compound with molecular formula C27H28N6S and molecular weight 468.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]-7-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine
Also Known As: 11R-0061, 2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]-7-[4-(4-methylpiperazino)phenyl]pyrazolo[1,5-a]pyrimidine, 2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]-7-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine, 1-(4-{2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl}phenyl)-4-methylpiperazine, 1-(4-{2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl}phenyl)-4-methylpiperazine
| Molecular Formula | C27H28N6S |
|---|---|
| Molecular Weight | 468.21 g/mol |
| LogP | 5.28414 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 468.20963 |
| Heavy Atoms | 34 |
| Complexity | 1430.8445 |
Chemical Identifiers
| CAS Number | 691868-66-3 |
|---|---|
| SMILES | CC1=CC=C(N1C2=C(SC=C2)C3=NN4C(=CC=NC4=C3)C5=CC=C(C=C5)N6CCN(CC6)C)C |
Product Overview
11R-0061 (CAS 691868-66-3), with molecular formula C27H28N6S and molecular weight 468.21 g/mol. IUPAC: 2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]-7-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine.
Chemical Property Profile of 11R-0061
Property Insights of 11R-0061
The XLogP value of 5.28414 indicates that 11R-0061 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.6 Ų, 11R-0061 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11R-0061 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 11R-0061?
The CAS number of 11R-0061 is 691868-66-3.
What is the molecular formula of 11R-0061?
The molecular formula of 11R-0061 is C27H28N6S.
What is the molecular weight of 11R-0061?
The molecular weight of 11R-0061 is 468.21 g/mol.
Where can I buy 11R-0061?
You can request a quote for 11R-0061 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11R-0061?
Yes, KEHONG BIO provides custom synthesis services for 11R-0061 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.