Barthrin
TL;DR: Barthrin (CAS 70-43-9) is a chemical compound with molecular formula C18H21ClO4 and molecular weight 336.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(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]
| Molecular Formula | C18H21ClO4 |
|---|---|
| Molecular Weight | 336.11 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 336.11282 |
| Heavy Atoms | 23 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 70-43-9 |
|---|---|
| SMILES | CC(=CC1C(C1(C)C)C(=O)OCC2=CC3=C(C=C2Cl)OCO3)C |
| InChIKey | KPMWGGRSOPMANK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Barthrin (CAS 70-43-9), with molecular formula C18H21ClO4 and molecular weight 336.11 g/mol. IUPAC: (6-chloro-1,3-benzodioxol-5-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate.
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
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 336.11 g/mol.
Where can I buy Barthrin?
You can request a quote for Barthrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Barthrin?
Yes, KEHONG BIO provides custom synthesis services for Barthrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.