trans-Barthrin
TL;DR: trans-Barthrin (CAS 40642-48-6) 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.
cis-(6-chloro-1,3-benzodioxol-5-yl)methyl (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Also Known As: trans-Barthrin, Barthrin, DL-trans-, Barthrin, trans-(+/-)-, trans-(+/-)-barthrin, NCIStruc1_001125
| Molecular Formula | C18H21ClO4 |
|---|---|
| Molecular Weight | 336.11 g/mol |
| LogP | 4.3503 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.11282 |
| Heavy Atoms | 23 |
| Complexity | 673.8443 |
Chemical Identifiers
| CAS Number | 40642-48-6 |
|---|---|
| SMILES | CC(=C[C@H]1[C@@H](C1(C)C)C(=O)OCC2=CC3=C(C=C2Cl)OCO3)C |
Product Overview
trans-Barthrin (CAS 40642-48-6), with molecular formula C18H21ClO4 and molecular weight 336.11 g/mol. IUPAC: cis-(6-chloro-1,3-benzodioxol-5-yl)methyl (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate.
Chemical Property Profile of trans-Barthrin
Property Insights of trans-Barthrin
The XLogP value of 4.3503 indicates that trans-Barthrin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.76 Ų, trans-Barthrin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-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 trans-Barthrin?
The CAS number of trans-Barthrin is 40642-48-6.
What is the molecular formula of trans-Barthrin?
The molecular formula of trans-Barthrin is C18H21ClO4.
What is the molecular weight of trans-Barthrin?
The molecular weight of trans-Barthrin is 336.11 g/mol.
Where can I buy trans-Barthrin?
You can request a quote for trans-Barthrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-Barthrin?
Yes, KEHONG BIO provides custom synthesis services for trans-Barthrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.