CBKinase1_002736
TL;DR: CBKinase1_002736 (CAS 489451-41-4) is a chemical compound with molecular formula C20H20BrN3O4S and molecular weight 477.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-[(4-bromopyrazol-1-yl)methyl]furan-2-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: CBKinase1_002736, CBKinase1_015136, BRD-K45147668-001-01-2, ethyl 2-({5-[(4-bromo-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[[5-[(4-bromopyrazol-1-yl)methyl]furan-2-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C20H20BrN3O4S |
|---|---|
| Molecular Weight | 477.04 g/mol |
| LogP | 4.6562 |
| Topological Polar Surface Area | 86.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 477.0358 |
| Heavy Atoms | 29 |
| Complexity | 1052.2458 |
Chemical Identifiers
| CAS Number | 489451-41-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(O3)CN4C=C(C=N4)Br |
Product Overview
CBKinase1_002736 (CAS 489451-41-4), with molecular formula C20H20BrN3O4S and molecular weight 477.04 g/mol. IUPAC: ethyl 2-[[5-[(4-bromopyrazol-1-yl)methyl]furan-2-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of CBKinase1_002736
Property Insights of CBKinase1_002736
The XLogP value of 4.6562 indicates that CBKinase1_002736 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.36 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_002736. Following Lipinski's Rule of Five, CBKinase1_002736 has 1 hydrogen bond donor(s) and 6 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_002736?
The CAS number of CBKinase1_002736 is 489451-41-4.
What is the molecular formula of CBKinase1_002736?
The molecular formula of CBKinase1_002736 is C20H20BrN3O4S.
What is the molecular weight of CBKinase1_002736?
The molecular weight of CBKinase1_002736 is 477.04 g/mol.
Where can I buy CBKinase1_002736?
You can request a quote for CBKinase1_002736 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002736?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002736 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.