propan-2-yl 6-bromo-2-oxo-2H-chromene-3-carboxylate
TL;DR: propan-2-yl 6-bromo-2-oxo-2H-chromene-3-carboxylate (CAS 81308-89-6) is a chemical compound with molecular formula C13H11BrO4 and molecular weight 309.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 6-bromo-2-oxochromene-3-carboxylate
Also Known As: ChemDiv3_003017, isopropyl 6-bromo-3-coumarincarboxylate, propan-2-yl 6-bromo-2-oxo-2H-chromene-3-carboxylate, propan-2-yl 6-bromo-2-oxochromene-3-carboxylate, isopropyl 6-bromo-2-oxo-2H-chromene-3-carboxylate
| Molecular Formula | C13H11BrO4 |
|---|---|
| Molecular Weight | 309.98 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 309.98407 |
| Heavy Atoms | 18 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 81308-89-6 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC2=C(C=CC(=C2)Br)OC1=O |
| InChIKey | ZOPFZOGPAOLXBH-UHFFFAOYSA-N |
Product Overview
propan-2-yl 6-bromo-2-oxo-2H-chromene-3-carboxylate (CAS 81308-89-6), with molecular formula C13H11BrO4 and molecular weight 309.98 g/mol. IUPAC: propan-2-yl 6-bromo-2-oxochromene-3-carboxylate.
Chemical Property Profile of propan-2-yl 6-bromo-2-oxo-2H-chromene-3-carboxylate
Property Insights of propan-2-yl 6-bromo-2-oxo-2H-chromene-3-carboxylate
The XLogP value of 3.5 indicates that propan-2-yl 6-bromo-2-oxo-2H-chromene-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, propan-2-yl 6-bromo-2-oxo-2H-chromene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, propan-2-yl 6-bromo-2-oxo-2H-chromene-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 propan-2-yl 6-bromo-2-oxo-2H-chromene-3-carboxylate?
The CAS number of propan-2-yl 6-bromo-2-oxo-2H-chromene-3-carboxylate is 81308-89-6.
What is the molecular formula of propan-2-yl 6-bromo-2-oxo-2H-chromene-3-carboxylate?
The molecular formula of propan-2-yl 6-bromo-2-oxo-2H-chromene-3-carboxylate is C13H11BrO4.
What is the molecular weight of propan-2-yl 6-bromo-2-oxo-2H-chromene-3-carboxylate?
The molecular weight of propan-2-yl 6-bromo-2-oxo-2H-chromene-3-carboxylate is 309.98 g/mol.
Where can I buy propan-2-yl 6-bromo-2-oxo-2H-chromene-3-carboxylate?
You can request a quote for propan-2-yl 6-bromo-2-oxo-2H-chromene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for propan-2-yl 6-bromo-2-oxo-2H-chromene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for propan-2-yl 6-bromo-2-oxo-2H-chromene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.