ChemDiv2_002517
TL;DR: ChemDiv2_002517 (CAS 681838-72-2) is a chemical compound with molecular formula C22H23NO4 and molecular weight 365.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-hydroxy-4-(piperidin-1-ylmethyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone
Also Known As: ChemDiv2_002517, [5-hydroxy-4-(piperidin-1-ylmethyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone, A3100/0131252, (5-Hydroxy-4-piperidin-1-ylmethylbenzofuran-3-yl)(4-methoxyphenyl)methanone, [5-hydroxy-4-(piperidinomethyl)benzofuran-3-yl]-(4-methoxyphenyl)methanone
| Molecular Formula | C22H23NO4 |
|---|---|
| Molecular Weight | 365.16 g/mol |
| LogP | 4.3639 |
| Topological Polar Surface Area | 62.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 365.16272 |
| Heavy Atoms | 27 |
| Complexity | 952.3533 |
Chemical Identifiers
| CAS Number | 681838-72-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)C2=COC3=C2C(=C(C=C3)O)CN4CCCCC4 |
Product Overview
ChemDiv2_002517 (CAS 681838-72-2), with molecular formula C22H23NO4 and molecular weight 365.16 g/mol. IUPAC: [5-hydroxy-4-(piperidin-1-ylmethyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone.
Chemical Property Profile of ChemDiv2_002517
Property Insights of ChemDiv2_002517
The XLogP value of 4.3639 indicates that ChemDiv2_002517 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.91 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_002517. Following Lipinski's Rule of Five, ChemDiv2_002517 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 ChemDiv2_002517?
The CAS number of ChemDiv2_002517 is 681838-72-2.
What is the molecular formula of ChemDiv2_002517?
The molecular formula of ChemDiv2_002517 is C22H23NO4.
What is the molecular weight of ChemDiv2_002517?
The molecular weight of ChemDiv2_002517 is 365.16 g/mol.
Where can I buy ChemDiv2_002517?
You can request a quote for ChemDiv2_002517 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_002517?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_002517 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.