3-isopentyl-4-methyl-2-oxo-2H-chromen-7-yl propionate
TL;DR: 3-isopentyl-4-methyl-2-oxo-2H-chromen-7-yl propionate (CAS 376383-46-9) is a chemical compound with molecular formula C18H22O4 and molecular weight 302.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-methyl-3-(3-methylbutyl)-2-oxochromen-7-yl] propanoate
Also Known As: 3-isopentyl-4-methyl-2-oxo-2H-chromen-7-yl propionate, [4-methyl-3-(3-methylbutyl)-2-oxochromen-7-yl] propanoate, 4-methyl-3-(3-methylbutyl)-2-oxo-2H-chromen-7-yl propanoate
| Molecular Formula | C18H22O4 |
|---|---|
| Molecular Weight | 302.15 g/mol |
| LogP | 4.00542 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 302.1518 |
| Heavy Atoms | 22 |
| Complexity | 740.5709 |
Chemical Identifiers
| CAS Number | 376383-46-9 |
|---|---|
| SMILES | CCC(=O)OC1=CC2=C(C=C1)C(=C(C(=O)O2)CCC(C)C)C |
Product Overview
3-isopentyl-4-methyl-2-oxo-2H-chromen-7-yl propionate (CAS 376383-46-9), with molecular formula C18H22O4 and molecular weight 302.15 g/mol. IUPAC: [4-methyl-3-(3-methylbutyl)-2-oxochromen-7-yl] propanoate.
Chemical Property Profile of 3-isopentyl-4-methyl-2-oxo-2H-chromen-7-yl propionate
Property Insights of 3-isopentyl-4-methyl-2-oxo-2H-chromen-7-yl propionate
The XLogP value of 4.00542 indicates that 3-isopentyl-4-methyl-2-oxo-2H-chromen-7-yl propionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.51 Ų, 3-isopentyl-4-methyl-2-oxo-2H-chromen-7-yl propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-isopentyl-4-methyl-2-oxo-2H-chromen-7-yl propionate has 0 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 3-isopentyl-4-methyl-2-oxo-2H-chromen-7-yl propionate?
The CAS number of 3-isopentyl-4-methyl-2-oxo-2H-chromen-7-yl propionate is 376383-46-9.
What is the molecular formula of 3-isopentyl-4-methyl-2-oxo-2H-chromen-7-yl propionate?
The molecular formula of 3-isopentyl-4-methyl-2-oxo-2H-chromen-7-yl propionate is C18H22O4.
What is the molecular weight of 3-isopentyl-4-methyl-2-oxo-2H-chromen-7-yl propionate?
The molecular weight of 3-isopentyl-4-methyl-2-oxo-2H-chromen-7-yl propionate is 302.15 g/mol.
Where can I buy 3-isopentyl-4-methyl-2-oxo-2H-chromen-7-yl propionate?
You can request a quote for 3-isopentyl-4-methyl-2-oxo-2H-chromen-7-yl propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-isopentyl-4-methyl-2-oxo-2H-chromen-7-yl propionate?
Yes, KEHONG BIO provides custom synthesis services for 3-isopentyl-4-methyl-2-oxo-2H-chromen-7-yl propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.