Barthrin
TL;DR: Barthrin (CAS 70-43-9) is a chemical compound with molecular formula C18H21ClO4 and molecular weight 336.11282 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6-chloro-1,3-benzodioxol-5-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Also Known As: Barthrin, Caswell No. 071AA, 6-Chloropiperonyl chrysanthemumate, 6-Chloropiperonyl chrysanthemummate, BARTHRIN [MI]
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C18H21ClO4 |
| Molecular Weight | 336.11282 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 336.11282 Da |
| Heavy Atoms | 23 |
| Complexity | 497.0 |
| SMILES | CC(=CC1C(C1(C)C)C(=O)OCC2=CC3=C(C=C2Cl)OCO3)C |
| InChIKey | KPMWGGRSOPMANK-UHFFFAOYSA-N |
Product Description
Applications: Barthrin is used in agrochemical development, including crop protection agent synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Barthrin is a agrochemical intermediate identified by CAS number 70-43-9 and the molecular formula C18H21ClO4 and a molecular weight of 336.11 g/mol. Synonyms include Barthrin and Caswell No. 071AA.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Barthrin
Property Insights of Barthrin
The XLogP value of 4.7 indicates that Barthrin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, Barthrin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Barthrin 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
What is the CAS number of Barthrin?
The CAS number of Barthrin is 70-43-9.
What is the molecular formula of Barthrin?
The molecular formula of Barthrin is C18H21ClO4.
What is the molecular weight of Barthrin?
The molecular weight of Barthrin is 336.11282 g/mol.
What are the applications of Barthrin?
Barthrin is used in agrochemical development, including crop protection agent synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item...
Where can I buy Barthrin?
You can request a quote for Barthrin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Barthrin?
Yes, CoreyChem provides custom synthesis services for Barthrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.