12R-0013
TL;DR: 12R-0013 (CAS 691869-94-0) is a chemical compound with molecular formula C20H16FN5O2S and molecular weight 409.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[(4-fluorophenyl)carbamoyl]thiophen-3-yl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
Also Known As: 12R-0013, N-{2-[(4-fluoroanilino)carbonyl]-3-thienyl}-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide, N-[2-[(4-fluorophenyl)carbamoyl]thiophen-3-yl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide, N-{2-[(4-fluorophenyl)carbamoyl]thiophen-3-yl}-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
| Molecular Formula | C20H16FN5O2S |
|---|---|
| Molecular Weight | 409.10 g/mol |
| LogP | 4.05134 |
| Topological Polar Surface Area | 88.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 409.10086 |
| Heavy Atoms | 29 |
| Complexity | 1229.6392 |
Chemical Identifiers
| CAS Number | 691869-94-0 |
|---|---|
| SMILES | CC1=NN2C(=C(C=NC2=C1)C(=O)NC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)F)C |
Product Overview
12R-0013 (CAS 691869-94-0), with molecular formula C20H16FN5O2S and molecular weight 409.10 g/mol. IUPAC: N-[2-[(4-fluorophenyl)carbamoyl]thiophen-3-yl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
Chemical Property Profile of 12R-0013
Property Insights of 12R-0013
The XLogP value of 4.05134 indicates that 12R-0013 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 12R-0013. Following Lipinski's Rule of Five, 12R-0013 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 12R-0013?
The CAS number of 12R-0013 is 691869-94-0.
What is the molecular formula of 12R-0013?
The molecular formula of 12R-0013 is C20H16FN5O2S.
What is the molecular weight of 12R-0013?
The molecular weight of 12R-0013 is 409.10 g/mol.
Where can I buy 12R-0013?
You can request a quote for 12R-0013 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12R-0013?
Yes, KEHONG BIO provides custom synthesis services for 12R-0013 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.