CBKinase1_004423
TL;DR: CBKinase1_004423 (CAS 445035-14-3) is a chemical compound with molecular formula C17H17F2N5O3S and molecular weight 409.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[7-(difluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: CBKinase1_004423, CBKinase1_016823, BAS 09530371, BRD-K17668094-001-01-5, ethyl 2-({[7-(difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4,5-dimethyl-3-thiophenecarboxylate
| Molecular Formula | C17H17F2N5O3S |
|---|---|
| Molecular Weight | 409.10 g/mol |
| LogP | 3.47766 |
| Topological Polar Surface Area | 98.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.10202 |
| Heavy Atoms | 28 |
| Complexity | 1076.6077 |
Chemical Identifiers
| CAS Number | 445035-14-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=NN3C(=CC(=NC3=N2)C)C(F)F |
Product Overview
CBKinase1_004423 (CAS 445035-14-3), with molecular formula C17H17F2N5O3S and molecular weight 409.10 g/mol. IUPAC: ethyl 2-[[7-(difluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of CBKinase1_004423
Property Insights of CBKinase1_004423
The XLogP value of 3.47766 indicates that CBKinase1_004423 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.48 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004423. Following Lipinski's Rule of Five, CBKinase1_004423 has 1 hydrogen bond donor(s) and 7 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 CBKinase1_004423?
The CAS number of CBKinase1_004423 is 445035-14-3.
What is the molecular formula of CBKinase1_004423?
The molecular formula of CBKinase1_004423 is C17H17F2N5O3S.
What is the molecular weight of CBKinase1_004423?
The molecular weight of CBKinase1_004423 is 409.10 g/mol.
Where can I buy CBKinase1_004423?
You can request a quote for CBKinase1_004423 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004423?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004423 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.