Benzoic acid, 3-((((2-2,dimethyl-3-(2-methyl-1-propenyl)cyclopropyl)carbonyl)oxy)methyl)-, propyl ester, (1R-trans)-
TL;DR: Benzoic acid, 3-((((2-2,dimethyl-3-(2-methyl-1-propenyl)cyclopropyl)carbonyl)oxy)methyl)-, propyl ester, (1R-trans)- (CAS 128347-63-7) is a chemical compound with molecular formula C21H28O4 and molecular weight 344.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 3-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]oxymethyl]benzoate
Also Known As: Benzoic acid, 3-((((2-2,dimethyl-3-(2-methyl-1-propenyl)cyclopropyl)carbonyl)oxy)methyl)-, propyl ester, (1R-trans)-, (1R)-2beta-(2-Methyl-1-propenyl)-3,3-dimethylcyclopropane-1alpha-carboxylic acid 3-(propoxycarbonyl)benzyl ester, Propyl 3-({[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carbonyl]oxy}methyl)benzoate, Propyl 3-({[2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carbonyl]oxy}methyl)benzoate, propyl 3-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]oxymethyl]benzoate
| Molecular Formula | C21H28O4 |
|---|---|
| Molecular Weight | 344.20 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 344.19876 |
| Heavy Atoms | 25 |
| Complexity | 516.0 |
Chemical Identifiers
| CAS Number | 128347-63-7 |
|---|---|
| SMILES | CCCOC(=O)C1=CC=CC(=C1)COC(=O)[C@@H]2[C@H](C2(C)C)C=C(C)C |
| InChIKey | UZDWWLAESGTXEA-MSOLQXFVSA-N |
Product Overview
Benzoic acid, 3-((((2-2,dimethyl-3-(2-methyl-1-propenyl)cyclopropyl)carbonyl)oxy)methyl)-, propyl ester, (1R-trans)- (CAS 128347-63-7), with molecular formula C21H28O4 and molecular weight 344.20 g/mol. IUPAC: propyl 3-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]oxymethyl]benzoate.
Chemical Property Profile of Benzoic acid, 3-((((2-2,dimethyl-3-(2-methyl-1-propenyl)cyclopropyl)carbonyl)oxy)methyl)-, propyl ester, (1R-trans)-
Property Insights of Benzoic acid, 3-((((2-2,dimethyl-3-(2-methyl-1-propenyl)cyclopropyl)carbonyl)oxy)methyl)-, propyl ester, (1R-trans)-
The XLogP value of 6.1 indicates that Benzoic acid, 3-((((2-2,dimethyl-3-(2-methyl-1-propenyl)cyclopropyl)carbonyl)oxy)methyl)-, propyl ester, (1R-trans)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Benzoic acid, 3-((((2-2,dimethyl-3-(2-methyl-1-propenyl)cyclopropyl)carbonyl)oxy)methyl)-, propyl ester, (1R-trans)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 3-((((2-2,dimethyl-3-(2-methyl-1-propenyl)cyclopropyl)carbonyl)oxy)methyl)-, propyl ester, (1R-trans)- has 0 hydrogen bond donor(s) and 4 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, 3-((((2-2,dimethyl-3-(2-methyl-1-propenyl)cyclopropyl)carbonyl)oxy)methyl)-, propyl ester, (1R-trans)-?
The CAS number of Benzoic acid, 3-((((2-2,dimethyl-3-(2-methyl-1-propenyl)cyclopropyl)carbonyl)oxy)methyl)-, propyl ester, (1R-trans)- is 128347-63-7.
What is the molecular formula of Benzoic acid, 3-((((2-2,dimethyl-3-(2-methyl-1-propenyl)cyclopropyl)carbonyl)oxy)methyl)-, propyl ester, (1R-trans)-?
The molecular formula of Benzoic acid, 3-((((2-2,dimethyl-3-(2-methyl-1-propenyl)cyclopropyl)carbonyl)oxy)methyl)-, propyl ester, (1R-trans)- is C21H28O4.
What is the molecular weight of Benzoic acid, 3-((((2-2,dimethyl-3-(2-methyl-1-propenyl)cyclopropyl)carbonyl)oxy)methyl)-, propyl ester, (1R-trans)-?
The molecular weight of Benzoic acid, 3-((((2-2,dimethyl-3-(2-methyl-1-propenyl)cyclopropyl)carbonyl)oxy)methyl)-, propyl ester, (1R-trans)- is 344.20 g/mol.
Where can I buy Benzoic acid, 3-((((2-2,dimethyl-3-(2-methyl-1-propenyl)cyclopropyl)carbonyl)oxy)methyl)-, propyl ester, (1R-trans)-?
You can request a quote for Benzoic acid, 3-((((2-2,dimethyl-3-(2-methyl-1-propenyl)cyclopropyl)carbonyl)oxy)methyl)-, propyl ester, (1R-trans)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3-((((2-2,dimethyl-3-(2-methyl-1-propenyl)cyclopropyl)carbonyl)oxy)methyl)-, propyl ester, (1R-trans)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-((((2-2,dimethyl-3-(2-methyl-1-propenyl)cyclopropyl)carbonyl)oxy)methyl)-, propyl ester, (1R-trans)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.