CBKinase1_003538
TL;DR: CBKinase1_003538 (CAS 618369-26-9) is a chemical compound with molecular formula C27H20N2O6 and molecular weight 468.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[3-(1-benzofuran-2-carbonyl)-4-hydroxy-5-oxo-1-(pyridin-4-ylmethyl)-2H-pyrrol-2-yl]benzoate
Also Known As: CBKinase1_003538, CBKinase1_015938, methyl 4-[3-(1-benzofuran-2-carbonyl)-4-hydroxy-5-oxo-1-[(pyridin-4-yl)methyl]-2,5-dihydro-1H-pyrrol-2-yl]benzoate, methyl 4-[3-(1-benzofuran-2-carbonyl)-4-hydroxy-5-oxo-1-(pyridin-4-ylmethyl)-2H-pyrrol-2-yl]benzoate, methyl 4-[3-(1-benzofuran-2-ylcarbonyl)-4-hydroxy-5-oxo-1-(pyridin-4-ylmethyl)-2,5-dihydro-1H-pyrrol-2-yl]benzoate
| Molecular Formula | C27H20N2O6 |
|---|---|
| Molecular Weight | 468.13 g/mol |
| LogP | 4.3929 |
| Topological Polar Surface Area | 109.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 468.13214 |
| Heavy Atoms | 35 |
| Complexity | 1437.606 |
Chemical Identifiers
| CAS Number | 618369-26-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2C(=C(C(=O)N2CC3=CC=NC=C3)O)C(=O)C4=CC5=CC=CC=C5O4 |
Product Overview
CBKinase1_003538 (CAS 618369-26-9), with molecular formula C27H20N2O6 and molecular weight 468.13 g/mol. IUPAC: methyl 4-[3-(1-benzofuran-2-carbonyl)-4-hydroxy-5-oxo-1-(pyridin-4-ylmethyl)-2H-pyrrol-2-yl]benzoate.
Chemical Property Profile of CBKinase1_003538
Property Insights of CBKinase1_003538
The XLogP value of 4.3929 indicates that CBKinase1_003538 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.94 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_003538. Following Lipinski's Rule of Five, CBKinase1_003538 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_003538?
The CAS number of CBKinase1_003538 is 618369-26-9.
What is the molecular formula of CBKinase1_003538?
The molecular formula of CBKinase1_003538 is C27H20N2O6.
What is the molecular weight of CBKinase1_003538?
The molecular weight of CBKinase1_003538 is 468.13 g/mol.
Where can I buy CBKinase1_003538?
You can request a quote for CBKinase1_003538 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003538?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003538 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.