isobutyl (4-methyl-2-oxo-2H-chromen-7-yl) carbonate
TL;DR: isobutyl (4-methyl-2-oxo-2H-chromen-7-yl) carbonate (CAS 401466-74-8) is a chemical compound with molecular formula C15H16O5 and molecular weight 276.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methyl-2-oxochromen-7-yl) 2-methylpropyl carbonate
Also Known As: isobutyl (4-methyl-2-oxo-2H-chromen-7-yl) carbonate, (4-methyl-2-oxochromen-7-yl) 2-methylpropyl carbonate, 4-methyl-2-oxo-2H-chromen-7-yl 2-methylpropyl carbonate
| Molecular Formula | C15H16O5 |
|---|---|
| Molecular Weight | 276.10 g/mol |
| LogP | 3.27282 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.09976 |
| Heavy Atoms | 20 |
| Complexity | 684.2136 |
Chemical Identifiers
| CAS Number | 401466-74-8 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)OCC(C)C |
Product Overview
isobutyl (4-methyl-2-oxo-2H-chromen-7-yl) carbonate (CAS 401466-74-8), with molecular formula C15H16O5 and molecular weight 276.10 g/mol. IUPAC: (4-methyl-2-oxochromen-7-yl) 2-methylpropyl carbonate.
Chemical Property Profile of isobutyl (4-methyl-2-oxo-2H-chromen-7-yl) carbonate
Property Insights of isobutyl (4-methyl-2-oxo-2H-chromen-7-yl) carbonate
The XLogP value of 3.27282 indicates that isobutyl (4-methyl-2-oxo-2H-chromen-7-yl) carbonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.74 Ų falls within the moderate polarity range, balancing permeability and solubility for isobutyl (4-methyl-2-oxo-2H-chromen-7-yl) carbonate. Following Lipinski's Rule of Five, isobutyl (4-methyl-2-oxo-2H-chromen-7-yl) carbonate has 0 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 isobutyl (4-methyl-2-oxo-2H-chromen-7-yl) carbonate?
The CAS number of isobutyl (4-methyl-2-oxo-2H-chromen-7-yl) carbonate is 401466-74-8.
What is the molecular formula of isobutyl (4-methyl-2-oxo-2H-chromen-7-yl) carbonate?
The molecular formula of isobutyl (4-methyl-2-oxo-2H-chromen-7-yl) carbonate is C15H16O5.
What is the molecular weight of isobutyl (4-methyl-2-oxo-2H-chromen-7-yl) carbonate?
The molecular weight of isobutyl (4-methyl-2-oxo-2H-chromen-7-yl) carbonate is 276.10 g/mol.
Where can I buy isobutyl (4-methyl-2-oxo-2H-chromen-7-yl) carbonate?
You can request a quote for isobutyl (4-methyl-2-oxo-2H-chromen-7-yl) carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for isobutyl (4-methyl-2-oxo-2H-chromen-7-yl) carbonate?
Yes, KEHONG BIO provides custom synthesis services for isobutyl (4-methyl-2-oxo-2H-chromen-7-yl) carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.