CBKinase1_002667
TL;DR: CBKinase1_002667 (CAS 618072-51-8) is a chemical compound with molecular formula C22H17NO7 and molecular weight 407.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-5-oxo-2H-pyrrol-2-yl]benzoate
Also Known As: CBKinase1_002667, CBKinase1_015067, BAS 06260823, methyl 4-[3-(2-furoyl)-1-(2-furylmethyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate, Methyl 4-(3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate
| Molecular Formula | C22H17NO7 |
|---|---|
| Molecular Weight | 407.10 g/mol |
| LogP | 3.4377 |
| Topological Polar Surface Area | 110.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 407.1005 |
| Heavy Atoms | 30 |
| Complexity | 1108.9697 |
Chemical Identifiers
| CAS Number | 618072-51-8 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2C(=C(C(=O)N2CC3=CC=CO3)O)C(=O)C4=CC=CO4 |
Product Overview
CBKinase1_002667 (CAS 618072-51-8), with molecular formula C22H17NO7 and molecular weight 407.10 g/mol. IUPAC: methyl 4-[3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-5-oxo-2H-pyrrol-2-yl]benzoate.
Chemical Property Profile of CBKinase1_002667
Property Insights of CBKinase1_002667
The XLogP value of 3.4377 indicates that CBKinase1_002667 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.19 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_002667. Following Lipinski's Rule of Five, CBKinase1_002667 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_002667?
The CAS number of CBKinase1_002667 is 618072-51-8.
What is the molecular formula of CBKinase1_002667?
The molecular formula of CBKinase1_002667 is C22H17NO7.
What is the molecular weight of CBKinase1_002667?
The molecular weight of CBKinase1_002667 is 407.10 g/mol.
Where can I buy CBKinase1_002667?
You can request a quote for CBKinase1_002667 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002667?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002667 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.