11R-0046
TL;DR: 11R-0046 (CAS 691868-62-9) is a chemical compound with molecular formula C23H19ClN4OS2 and molecular weight 466.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-chlorophenyl)sulfanylmethyl]-2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
Also Known As: 11R-0046, 5-([(4-CHLOROPHENYL)SULFANYL]METHYL)-2-[3-(2,5-DIMETHYL-1H-PYRROL-1-YL)-2-THIENYL]PYRAZOLO[1,5-A]PYRIMIDIN-7-OL, 5-[(4-chlorophenyl)sulfanylmethyl]-2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one, 5-{[(4-chlorophenyl)sulfanyl]methyl}-2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-7-ol, 5-{[(4-chlorophenyl)sulfanyl]methyl}-2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]pyrazolo[1,5-a]pyrimidin-7-ol
| Molecular Formula | C23H19ClN4OS2 |
|---|---|
| Molecular Weight | 466.07 g/mol |
| LogP | 6.10434 |
| Topological Polar Surface Area | 55.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 466.06888 |
| Heavy Atoms | 31 |
| Complexity | 1423.3037 |
Chemical Identifiers
| CAS Number | 691868-62-9 |
|---|---|
| SMILES | CC1=CC=C(N1C2=C(SC=C2)C3=CC4=NC(=CC(=O)N4N3)CSC5=CC=C(C=C5)Cl)C |
Product Overview
11R-0046 (CAS 691868-62-9), with molecular formula C23H19ClN4OS2 and molecular weight 466.07 g/mol. IUPAC: 5-[(4-chlorophenyl)sulfanylmethyl]-2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
Chemical Property Profile of 11R-0046
Property Insights of 11R-0046
The XLogP value of 6.10434 indicates that 11R-0046 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.09 Ų, 11R-0046 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11R-0046 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 11R-0046?
The CAS number of 11R-0046 is 691868-62-9.
What is the molecular formula of 11R-0046?
The molecular formula of 11R-0046 is C23H19ClN4OS2.
What is the molecular weight of 11R-0046?
The molecular weight of 11R-0046 is 466.07 g/mol.
Where can I buy 11R-0046?
You can request a quote for 11R-0046 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11R-0046?
Yes, KEHONG BIO provides custom synthesis services for 11R-0046 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.