11R-0055
TL;DR: 11R-0055 (CAS 691868-65-2) is a chemical compound with molecular formula C23H19N5O3S2 and molecular weight 477.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]thiophene-2-carboxylic acid
Also Known As: 11R-0055, 3-[((2-[3-(2,5-DIMETHYL-1H-PYRROL-1-YL)-2-THIENYL]-7-METHYLPYRAZOLO[1,5-A]PYRIMIDIN-6-YL)CARBONYL)AMINO]-2-THIOPHENECARBOXYLIC ACID, 3-[[2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]thiophene-2-carboxylic acid, 3-[({2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]-7-methylpyrazolo[1,5-a]pyrimidin-6-yl}carbonyl)amino]-2-thiophenecarboxylic acid, 3-{2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)thiophen-2-yl]-7-methylpyrazolo[1,5-a]pyrimidine-6-amido}thiophene-2-carboxylic acid
| Molecular Formula | C23H19N5O3S2 |
|---|---|
| Molecular Weight | 477.09 g/mol |
| LogP | 5.18576 |
| Topological Polar Surface Area | 101.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 477.09293 |
| Heavy Atoms | 33 |
| Complexity | 1519.251 |
Chemical Identifiers
| CAS Number | 691868-65-2 |
|---|---|
| SMILES | CC1=CC=C(N1C2=C(SC=C2)C3=NN4C(=C(C=NC4=C3)C(=O)NC5=C(SC=C5)C(=O)O)C)C |
Product Overview
11R-0055 (CAS 691868-65-2), with molecular formula C23H19N5O3S2 and molecular weight 477.09 g/mol. IUPAC: 3-[[2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]thiophene-2-carboxylic acid.
Chemical Property Profile of 11R-0055
Property Insights of 11R-0055
The XLogP value of 5.18576 indicates that 11R-0055 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 11R-0055. Following Lipinski's Rule of Five, 11R-0055 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 11R-0055?
The CAS number of 11R-0055 is 691868-65-2.
What is the molecular formula of 11R-0055?
The molecular formula of 11R-0055 is C23H19N5O3S2.
What is the molecular weight of 11R-0055?
The molecular weight of 11R-0055 is 477.09 g/mol.
Where can I buy 11R-0055?
You can request a quote for 11R-0055 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11R-0055?
Yes, KEHONG BIO provides custom synthesis services for 11R-0055 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.