CBKinase1_004266
TL;DR: CBKinase1_004266 (CAS 515848-84-7) is a chemical compound with molecular formula C17H15F2N5O3S and molecular weight 407.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[7-(difluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: CBKinase1_004266, CBKinase1_016666, BAS 09530372, BRD-K73316142-001-01-4, methyl 2-({[7-(difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C17H15F2N5O3S |
|---|---|
| Molecular Weight | 407.09 g/mol |
| LogP | 2.95942 |
| Topological Polar Surface Area | 98.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.08636 |
| Heavy Atoms | 28 |
| Complexity | 1108.0918 |
Chemical Identifiers
| CAS Number | 515848-84-7 |
|---|---|
| SMILES | CC1=NC2=NC(=NN2C(=C1)C(F)F)C(=O)NC3=C(C4=C(S3)CCC4)C(=O)OC |
Product Overview
CBKinase1_004266 (CAS 515848-84-7), with molecular formula C17H15F2N5O3S and molecular weight 407.09 g/mol. IUPAC: methyl 2-[[7-(difluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of CBKinase1_004266
Property Insights of CBKinase1_004266
The XLogP value of 2.95942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_004266. The TPSA of 98.48 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004266. Following Lipinski's Rule of Five, CBKinase1_004266 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_004266?
The CAS number of CBKinase1_004266 is 515848-84-7.
What is the molecular formula of CBKinase1_004266?
The molecular formula of CBKinase1_004266 is C17H15F2N5O3S.
What is the molecular weight of CBKinase1_004266?
The molecular weight of CBKinase1_004266 is 407.09 g/mol.
Where can I buy CBKinase1_004266?
You can request a quote for CBKinase1_004266 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004266?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004266 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.