CBKinase1_002631
TL;DR: CBKinase1_002631 (CAS 617694-13-0) is a chemical compound with molecular formula C23H21NO7S and molecular weight 455.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(furan-2-ylmethyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one
Also Known As: CBKinase1_002631, CBKinase1_015031, AB00314401-02, AS-871/41898825, 1-(Furan-2-ylmethyl)-3-hydroxy-4-(thiophene-2-carbonyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C23H21NO7S |
|---|---|
| Molecular Weight | 455.10 g/mol |
| LogP | 4.1454 |
| Topological Polar Surface Area | 98.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 455.10388 |
| Heavy Atoms | 32 |
| Complexity | 1140.1837 |
Chemical Identifiers
| CAS Number | 617694-13-0 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2C(=C(C(=O)N2CC3=CC=CO3)O)C(=O)C4=CC=CS4 |
Product Overview
CBKinase1_002631 (CAS 617694-13-0), with molecular formula C23H21NO7S and molecular weight 455.10 g/mol. IUPAC: 1-(furan-2-ylmethyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one.
Chemical Property Profile of CBKinase1_002631
Property Insights of CBKinase1_002631
The XLogP value of 4.1454 indicates that CBKinase1_002631 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.44 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_002631. Following Lipinski's Rule of Five, CBKinase1_002631 has 1 hydrogen bond donor(s) and 8 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_002631?
The CAS number of CBKinase1_002631 is 617694-13-0.
What is the molecular formula of CBKinase1_002631?
The molecular formula of CBKinase1_002631 is C23H21NO7S.
What is the molecular weight of CBKinase1_002631?
The molecular weight of CBKinase1_002631 is 455.10 g/mol.
Where can I buy CBKinase1_002631?
You can request a quote for CBKinase1_002631 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002631?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002631 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.