ChemDiv1_021828
TL;DR: ChemDiv1_021828 (CAS 303119-97-3) is a chemical compound with molecular formula C19H25NO3 and molecular weight 315.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[butyl(ethyl)amino]methyl]-7-hydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
Also Known As: ChemDiv1_021828, AE-641/14179087, 6-[[butyl(ethyl)amino]methyl]-7-hydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one, 6-[(Butyl-ethyl-amino)-methyl]-7-hydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one, 6-((butyl(ethyl)amino)methyl)-7-hydroxy-2,3-dihydrocyclopenta[c]chromen-4(1H)-one
| Molecular Formula | C19H25NO3 |
|---|---|
| Molecular Weight | 315.18 g/mol |
| LogP | 3.6093 |
| Topological Polar Surface Area | 53.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 315.18344 |
| Heavy Atoms | 23 |
| Complexity | 763.2793 |
Chemical Identifiers
| CAS Number | 303119-97-3 |
|---|---|
| SMILES | CCCCN(CC)CC1=C(C=CC2=C1OC(=O)C3=C2CCC3)O |
Product Overview
ChemDiv1_021828 (CAS 303119-97-3), with molecular formula C19H25NO3 and molecular weight 315.18 g/mol. IUPAC: 6-[[butyl(ethyl)amino]methyl]-7-hydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one.
Chemical Property Profile of ChemDiv1_021828
Property Insights of ChemDiv1_021828
The XLogP value of 3.6093 indicates that ChemDiv1_021828 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.68 Ų, ChemDiv1_021828 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_021828 has 1 hydrogen bond donor(s) and 4 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 ChemDiv1_021828?
The CAS number of ChemDiv1_021828 is 303119-97-3.
What is the molecular formula of ChemDiv1_021828?
The molecular formula of ChemDiv1_021828 is C19H25NO3.
What is the molecular weight of ChemDiv1_021828?
The molecular weight of ChemDiv1_021828 is 315.18 g/mol.
Where can I buy ChemDiv1_021828?
You can request a quote for ChemDiv1_021828 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021828?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021828 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.