Benzoic acid,4-methoxy-,2,2-dimethylpentyl ester
TL;DR: Benzoic acid,4-methoxy-,2,2-dimethylpentyl ester (CAS 6317-71-1) is a chemical compound with molecular formula C15H24Br2O2 and molecular weight 394.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4-dibromo-2-methylbutan-2-yl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Also Known As: Benzoic acid,4-methoxy-,2,2-dimethylpentyl ester, 3,4-dibromo-2-methylbutan-2-yl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate, (3,4-dibromo-2-methylbutan-2-yl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate, 3,4-Dibromo-2-methylbutan-2-yl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate, Cyclopropanecarboxylicacid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, 2,3-dibromo-1,1-dimethylpropylester
| Molecular Formula | C15H24Br2O2 |
|---|---|
| Molecular Weight | 394.01 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.0143 |
| Heavy Atoms | 19 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 6317-71-1 |
|---|---|
| SMILES | CC(=CC1C(C1(C)C)C(=O)OC(C)(C)C(CBr)Br)C |
| InChIKey | INEXNAHDVGGQHF-UHFFFAOYSA-N |
Product Overview
Benzoic acid,4-methoxy-,2,2-dimethylpentyl ester (CAS 6317-71-1), with molecular formula C15H24Br2O2 and molecular weight 394.01 g/mol. IUPAC: (3,4-dibromo-2-methylbutan-2-yl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate.
Chemical Property Profile of Benzoic acid,4-methoxy-,2,2-dimethylpentyl ester
Property Insights of Benzoic acid,4-methoxy-,2,2-dimethylpentyl ester
The XLogP value of 6.0 indicates that Benzoic acid,4-methoxy-,2,2-dimethylpentyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzoic acid,4-methoxy-,2,2-dimethylpentyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid,4-methoxy-,2,2-dimethylpentyl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid,4-methoxy-,2,2-dimethylpentyl ester?
The CAS number of Benzoic acid,4-methoxy-,2,2-dimethylpentyl ester is 6317-71-1.
What is the molecular formula of Benzoic acid,4-methoxy-,2,2-dimethylpentyl ester?
The molecular formula of Benzoic acid,4-methoxy-,2,2-dimethylpentyl ester is C15H24Br2O2.
What is the molecular weight of Benzoic acid,4-methoxy-,2,2-dimethylpentyl ester?
The molecular weight of Benzoic acid,4-methoxy-,2,2-dimethylpentyl ester is 394.01 g/mol.
Where can I buy Benzoic acid,4-methoxy-,2,2-dimethylpentyl ester?
You can request a quote for Benzoic acid,4-methoxy-,2,2-dimethylpentyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid,4-methoxy-,2,2-dimethylpentyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid,4-methoxy-,2,2-dimethylpentyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.