CBKinase1_001035
TL;DR: CBKinase1_001035 (CAS 313248-47-4) is a chemical compound with molecular formula C22H16F3N5O2S and molecular weight 471.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: CBKinase1_001035, CBKinase1_013435, BAS 00924095, BRD-K87213350-001-01-4, N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
| Molecular Formula | C22H16F3N5O2S |
|---|---|
| Molecular Weight | 471.10 g/mol |
| LogP | 5.46248 |
| Topological Polar Surface Area | 96.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 471.0977 |
| Heavy Atoms | 33 |
| Complexity | 1396.2704 |
Chemical Identifiers
| CAS Number | 313248-47-4 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC(=C2C#N)NC(=O)C3=NN4C(=CC(=NC4=C3)C5=CC=CO5)C(F)(F)F |
Product Overview
CBKinase1_001035 (CAS 313248-47-4), with molecular formula C22H16F3N5O2S and molecular weight 471.10 g/mol. IUPAC: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
Chemical Property Profile of CBKinase1_001035
Property Insights of CBKinase1_001035
The XLogP value of 5.46248 indicates that CBKinase1_001035 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.22 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_001035. Following Lipinski's Rule of Five, CBKinase1_001035 has 1 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 CBKinase1_001035?
The CAS number of CBKinase1_001035 is 313248-47-4.
What is the molecular formula of CBKinase1_001035?
The molecular formula of CBKinase1_001035 is C22H16F3N5O2S.
What is the molecular weight of CBKinase1_001035?
The molecular weight of CBKinase1_001035 is 471.10 g/mol.
Where can I buy CBKinase1_001035?
You can request a quote for CBKinase1_001035 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_001035?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_001035 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.