Cacalohastine
TL;DR: Cacalohastine (CAS 52078-95-2) is a chemical compound with molecular formula C16H18O2 and molecular weight 242.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5S)-9-methoxy-3,4,5-trimethyl-5,6-dihydrobenzo[f][1]benzofuran
Also Known As: Cacalohastine, Cacalohastin, (5S)-9-methoxy-3,4,5-trimethyl-5,6-dihydrobenzo[f][1]benzofuran, (+-)-5,6-Dihydro-9-methoxy-3,4,5-trimethylnaphtho(2,3-b)furan, Naphtho(2,3-b)furan, 5,6-dihydro-9-methoxy-3,4,5-trimethyl-, (+-)-
| Molecular Formula | C16H18O2 |
|---|---|
| Molecular Weight | 242.13 g/mol |
| LogP | 4.57864 |
| Topological Polar Surface Area | 22.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 242.13068 |
| Heavy Atoms | 18 |
| Complexity | 646.8961 |
Chemical Identifiers
| CAS Number | 52078-95-2 |
|---|---|
| SMILES | C[C@H]1CC=CC2=C1C(=C3C(=COC3=C2OC)C)C |
Product Overview
Cacalohastine (CAS 52078-95-2), with molecular formula C16H18O2 and molecular weight 242.13 g/mol. IUPAC: (5S)-9-methoxy-3,4,5-trimethyl-5,6-dihydrobenzo[f][1]benzofuran.
Chemical Property Profile of Cacalohastine
Property Insights of Cacalohastine
The XLogP value of 4.57864 indicates that Cacalohastine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 22.37 Ų, Cacalohastine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cacalohastine has 0 hydrogen bond donor(s) and 2 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 Cacalohastine?
The CAS number of Cacalohastine is 52078-95-2.
What is the molecular formula of Cacalohastine?
The molecular formula of Cacalohastine is C16H18O2.
What is the molecular weight of Cacalohastine?
The molecular weight of Cacalohastine is 242.13 g/mol.
Where can I buy Cacalohastine?
You can request a quote for Cacalohastine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cacalohastine?
Yes, KEHONG BIO provides custom synthesis services for Cacalohastine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.