(5-(Phenylmethyl)furan-3-yl)methyl 2-bromo-3,3-dimethylbutanoate
TL;DR: (5-(Phenylmethyl)furan-3-yl)methyl 2-bromo-3,3-dimethylbutanoate (CAS 98991-88-9) is a chemical compound with molecular formula C18H21BrO3 and molecular weight 364.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-benzylfuran-3-yl)methyl 2-bromo-3,3-dimethylbutanoate
Also Known As: (5-(Phenylmethyl)furan-3-yl)methyl 2-bromo-3,3-dimethylbutanoate, (5-benzylfuran-3-yl)methyl 2-bromo-3,3-dimethylbutanoate, (5-benzyl-3-furyl)methyl 2-bromo-3,3-dimethyl-butanoate
| Molecular Formula | C18H21BrO3 |
|---|---|
| Molecular Weight | 364.07 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 39.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 364.0674 |
| Heavy Atoms | 22 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 98991-88-9 |
|---|---|
| SMILES | CC(C)(C)C(C(=O)OCC1=COC(=C1)CC2=CC=CC=C2)Br |
| InChIKey | QODTZVMEMDPQSF-UHFFFAOYSA-N |
Product Overview
(5-(Phenylmethyl)furan-3-yl)methyl 2-bromo-3,3-dimethylbutanoate (CAS 98991-88-9), with molecular formula C18H21BrO3 and molecular weight 364.07 g/mol. IUPAC: (5-benzylfuran-3-yl)methyl 2-bromo-3,3-dimethylbutanoate.
Chemical Property Profile of (5-(Phenylmethyl)furan-3-yl)methyl 2-bromo-3,3-dimethylbutanoate
Property Insights of (5-(Phenylmethyl)furan-3-yl)methyl 2-bromo-3,3-dimethylbutanoate
The XLogP value of 5.8 indicates that (5-(Phenylmethyl)furan-3-yl)methyl 2-bromo-3,3-dimethylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.4 Ų, (5-(Phenylmethyl)furan-3-yl)methyl 2-bromo-3,3-dimethylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5-(Phenylmethyl)furan-3-yl)methyl 2-bromo-3,3-dimethylbutanoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (5-(Phenylmethyl)furan-3-yl)methyl 2-bromo-3,3-dimethylbutanoate?
The CAS number of (5-(Phenylmethyl)furan-3-yl)methyl 2-bromo-3,3-dimethylbutanoate is 98991-88-9.
What is the molecular formula of (5-(Phenylmethyl)furan-3-yl)methyl 2-bromo-3,3-dimethylbutanoate?
The molecular formula of (5-(Phenylmethyl)furan-3-yl)methyl 2-bromo-3,3-dimethylbutanoate is C18H21BrO3.
What is the molecular weight of (5-(Phenylmethyl)furan-3-yl)methyl 2-bromo-3,3-dimethylbutanoate?
The molecular weight of (5-(Phenylmethyl)furan-3-yl)methyl 2-bromo-3,3-dimethylbutanoate is 364.07 g/mol.
Where can I buy (5-(Phenylmethyl)furan-3-yl)methyl 2-bromo-3,3-dimethylbutanoate?
You can request a quote for (5-(Phenylmethyl)furan-3-yl)methyl 2-bromo-3,3-dimethylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-(Phenylmethyl)furan-3-yl)methyl 2-bromo-3,3-dimethylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for (5-(Phenylmethyl)furan-3-yl)methyl 2-bromo-3,3-dimethylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.