Isopentyl 6-bromo-2-oxo-4-phenylchroman-3-carboxylate
TL;DR: Isopentyl 6-bromo-2-oxo-4-phenylchroman-3-carboxylate (CAS 672888-73-2) is a chemical compound with molecular formula C21H21BrO4 and molecular weight 416.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbutyl 6-bromo-2-oxo-4-phenyl-3,4-dihydrochromene-3-carboxylate
Also Known As: isopentyl 6-bromo-2-oxo-4-phenylchroman-3-carboxylate, 3-methylbutyl 6-bromo-2-oxo-4-phenyl-3,4-dihydrochromene-3-carboxylate, 3-methylbutyl 6-bromo-2-oxo-4-phenyl-3,4-dihydro-2H-chromene-3-carboxylate
| Molecular Formula | C21H21BrO4 |
|---|---|
| Molecular Weight | 416.06 g/mol |
| LogP | 4.7055 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.06232 |
| Heavy Atoms | 26 |
| Complexity | 800.9133 |
Chemical Identifiers
| CAS Number | 672888-73-2 |
|---|---|
| SMILES | CC(C)CCOC(=O)C1C(C2=C(C=CC(=C2)Br)OC1=O)C3=CC=CC=C3 |
Product Overview
Isopentyl 6-bromo-2-oxo-4-phenylchroman-3-carboxylate (CAS 672888-73-2), with molecular formula C21H21BrO4 and molecular weight 416.06 g/mol. IUPAC: 3-methylbutyl 6-bromo-2-oxo-4-phenyl-3,4-dihydrochromene-3-carboxylate.
Chemical Property Profile of Isopentyl 6-bromo-2-oxo-4-phenylchroman-3-carboxylate
Property Insights of Isopentyl 6-bromo-2-oxo-4-phenylchroman-3-carboxylate
The XLogP value of 4.7055 indicates that Isopentyl 6-bromo-2-oxo-4-phenylchroman-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Isopentyl 6-bromo-2-oxo-4-phenylchroman-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopentyl 6-bromo-2-oxo-4-phenylchroman-3-carboxylate 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 Isopentyl 6-bromo-2-oxo-4-phenylchroman-3-carboxylate?
The CAS number of Isopentyl 6-bromo-2-oxo-4-phenylchroman-3-carboxylate is 672888-73-2.
What is the molecular formula of Isopentyl 6-bromo-2-oxo-4-phenylchroman-3-carboxylate?
The molecular formula of Isopentyl 6-bromo-2-oxo-4-phenylchroman-3-carboxylate is C21H21BrO4.
What is the molecular weight of Isopentyl 6-bromo-2-oxo-4-phenylchroman-3-carboxylate?
The molecular weight of Isopentyl 6-bromo-2-oxo-4-phenylchroman-3-carboxylate is 416.06 g/mol.
Where can I buy Isopentyl 6-bromo-2-oxo-4-phenylchroman-3-carboxylate?
You can request a quote for Isopentyl 6-bromo-2-oxo-4-phenylchroman-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopentyl 6-bromo-2-oxo-4-phenylchroman-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Isopentyl 6-bromo-2-oxo-4-phenylchroman-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.