CBKinase1_003811
TL;DR: CBKinase1_003811 (CAS 590400-41-2) is a chemical compound with molecular formula C19H20BrNO4S and molecular weight 437.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: CBKinase1_003811, CBKinase1_016211, AN-329/41609891, BRD-K25734190-001-01-8, methyl 2-{[(2-bromo-4-ethylphenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C19H20BrNO4S |
|---|---|
| Molecular Weight | 437.03 g/mol |
| LogP | 4.3658 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 437.02963 |
| Heavy Atoms | 26 |
| Complexity | 846.30493 |
Chemical Identifiers
| CAS Number | 590400-41-2 |
|---|---|
| SMILES | CCC1=CC(=C(C=C1)OCC(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC)Br |
Product Overview
CBKinase1_003811 (CAS 590400-41-2), with molecular formula C19H20BrNO4S and molecular weight 437.03 g/mol. IUPAC: methyl 2-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of CBKinase1_003811
Property Insights of CBKinase1_003811
The XLogP value of 4.3658 indicates that CBKinase1_003811 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_003811. Following Lipinski's Rule of Five, CBKinase1_003811 has 1 hydrogen bond donor(s) and 5 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_003811?
The CAS number of CBKinase1_003811 is 590400-41-2.
What is the molecular formula of CBKinase1_003811?
The molecular formula of CBKinase1_003811 is C19H20BrNO4S.
What is the molecular weight of CBKinase1_003811?
The molecular weight of CBKinase1_003811 is 437.03 g/mol.
Where can I buy CBKinase1_003811?
You can request a quote for CBKinase1_003811 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003811?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003811 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.