CBKinase1_008537
TL;DR: CBKinase1_008537 (CAS 445383-14-2) is a chemical compound with molecular formula C21H20F3N3O3S2 and molecular weight 483.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: CBKinase1_008537, CBKinase1_020937, AM-807/14147292, BRD-K81994480-001-01-8, ethyl 2-[[2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C21H20F3N3O3S2 |
|---|---|
| Molecular Weight | 483.09 g/mol |
| LogP | 5.1283 |
| Topological Polar Surface Area | 92.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 483.0898 |
| Heavy Atoms | 32 |
| Complexity | 1090.6699 |
Chemical Identifiers
| CAS Number | 445383-14-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC(=CC(=C3C#N)C(F)(F)F)C |
Product Overview
CBKinase1_008537 (CAS 445383-14-2), with molecular formula C21H20F3N3O3S2 and molecular weight 483.09 g/mol. IUPAC: ethyl 2-[[2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of CBKinase1_008537
Property Insights of CBKinase1_008537
The XLogP value of 5.1283 indicates that CBKinase1_008537 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.08 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_008537. Following Lipinski's Rule of Five, CBKinase1_008537 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 CBKinase1_008537?
The CAS number of CBKinase1_008537 is 445383-14-2.
What is the molecular formula of CBKinase1_008537?
The molecular formula of CBKinase1_008537 is C21H20F3N3O3S2.
What is the molecular weight of CBKinase1_008537?
The molecular weight of CBKinase1_008537 is 483.09 g/mol.
Where can I buy CBKinase1_008537?
You can request a quote for CBKinase1_008537 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_008537?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_008537 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.