9R-0048
TL;DR: 9R-0048 (CAS 692738-13-9) is a chemical compound with molecular formula C24H21N5O3S2 and molecular weight 491.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]thiophene-2-carboxylate
Also Known As: 9R-0048, methyl 3-[({2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]-7-methylpyrazolo[1,5-a]pyrimidin-6-yl}carbonyl)amino]-2-thiophenecarboxylate, methyl 3-[[2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]thiophene-2-carboxylate, methyl 3-{2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)thiophen-2-yl]-7-methylpyrazolo[1,5-a]pyrimidine-6-amido}thiophene-2-carboxylate, methyl3-{2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)thiophen-2-yl]-7-methylpyrazolo[1,5-a]pyrimidine-6-amido}thiophene-2-carboxylate
| Molecular Formula | C24H21N5O3S2 |
|---|---|
| Molecular Weight | 491.11 g/mol |
| LogP | 5.27416 |
| Topological Polar Surface Area | 90.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 491.10858 |
| Heavy Atoms | 34 |
| Complexity | 1536.3608 |
Chemical Identifiers
| CAS Number | 692738-13-9 |
|---|---|
| SMILES | CC1=CC=C(N1C2=C(SC=C2)C3=NN4C(=C(C=NC4=C3)C(=O)NC5=C(SC=C5)C(=O)OC)C)C |
Product Overview
9R-0048 (CAS 692738-13-9), with molecular formula C24H21N5O3S2 and molecular weight 491.11 g/mol. IUPAC: methyl 3-[[2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]thiophene-2-carboxylate.
Chemical Property Profile of 9R-0048
Property Insights of 9R-0048
The XLogP value of 5.27416 indicates that 9R-0048 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 9R-0048. Following Lipinski's Rule of Five, 9R-0048 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9R-0048?
The CAS number of 9R-0048 is 692738-13-9.
What is the molecular formula of 9R-0048?
The molecular formula of 9R-0048 is C24H21N5O3S2.
What is the molecular weight of 9R-0048?
The molecular weight of 9R-0048 is 491.11 g/mol.
Where can I buy 9R-0048?
You can request a quote for 9R-0048 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9R-0048?
Yes, KEHONG BIO provides custom synthesis services for 9R-0048 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.