ChemDiv2_005123
TL;DR: ChemDiv2_005123 (CAS 637747-27-4) is a chemical compound with molecular formula C25H27N3O3 and molecular weight 417.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1H-benzimidazol-2-yl)-6-ethyl-7-hydroxy-8-[(4-methylpiperidin-1-yl)methyl]chromen-4-one
Also Known As: ChemDiv2_005123, IDI1_003838, 3-(1H-benzo[d]imidazol-2-yl)-6-ethyl-7-hydroxy-8-((4-methylpiperidin-1-yl)methyl)-4H-chromen-4-one, 3-(1H-1,3-benzodiazol-2-yl)-6-ethyl-7-hydroxy-8-[(4-methylpiperidin-1-yl)methyl]-4H-chromen-4-one, 3-(1H-benzimidazol-2-yl)-6-ethyl-7-hydroxy-8-[(4-methylpiperidin-1-yl)methyl]-4H-chromen-4-one
| Molecular Formula | C25H27N3O3 |
|---|---|
| Molecular Weight | 417.21 g/mol |
| LogP | 4.8362 |
| Topological Polar Surface Area | 82.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.20523 |
| Heavy Atoms | 31 |
| Complexity | 1280.0844 |
Chemical Identifiers
| CAS Number | 637747-27-4 |
|---|---|
| SMILES | CCC1=CC2=C(C(=C1O)CN3CCC(CC3)C)OC=C(C2=O)C4=NC5=CC=CC=C5N4 |
Product Overview
ChemDiv2_005123 (CAS 637747-27-4), with molecular formula C25H27N3O3 and molecular weight 417.21 g/mol. IUPAC: 3-(1H-benzimidazol-2-yl)-6-ethyl-7-hydroxy-8-[(4-methylpiperidin-1-yl)methyl]chromen-4-one.
Chemical Property Profile of ChemDiv2_005123
Property Insights of ChemDiv2_005123
The XLogP value of 4.8362 indicates that ChemDiv2_005123 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.36 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_005123. Following Lipinski's Rule of Five, ChemDiv2_005123 has 2 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 ChemDiv2_005123?
The CAS number of ChemDiv2_005123 is 637747-27-4.
What is the molecular formula of ChemDiv2_005123?
The molecular formula of ChemDiv2_005123 is C25H27N3O3.
What is the molecular weight of ChemDiv2_005123?
The molecular weight of ChemDiv2_005123 is 417.21 g/mol.
Where can I buy ChemDiv2_005123?
You can request a quote for ChemDiv2_005123 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_005123?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_005123 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.