Thelepin
TL;DR: Thelepin (CAS 52498-93-8) is a chemical compound with molecular formula C14H9Br3O3 and molecular weight 461.81 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2',6',7-tribromo-5-(hydroxymethyl)spiro[3H-1-benzofuran-2,4'-cyclohexa-2,5-diene]-1'-one
Also Known As: Thelepin, 2',6',7-tribromo-5-(hydroxymethyl)spiro[3H-1-benzofuran-2,4'-cyclohexa-2,5-diene]-1'-one, Spiro[benzofuran-2(3H),1'-[2,5]cyclohexadien]-4'-one, 3',5',7-tribromo-5-(hydroxymethyl)-, 3 ,5 ,7-Tribromo-5-(hydroxymethyl)spiro[benzofuran-2(3H),1 -[2,5]cyclohexadien]-4 -one, 3',5',7-Tribromo-5-(hydroxymethyl)-3H-spiro[[1]benzofuran-2,1'-cyclohexa[2,5]dien]-4'-one
| Molecular Formula | C14H9Br3O3 |
|---|---|
| Molecular Weight | 461.81 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 461.81018 |
| Heavy Atoms | 20 |
| Complexity | 478.0 |
Chemical Identifiers
| CAS Number | 52498-93-8 |
|---|---|
| SMILES | C1C2=C(C(=CC(=C2)CO)Br)OC13C=C(C(=O)C(=C3)Br)Br |
| InChIKey | LNKWAVLAOSVMOE-UHFFFAOYSA-N |
Product Overview
Thelepin (CAS 52498-93-8), with molecular formula C14H9Br3O3 and molecular weight 461.81 g/mol. IUPAC: 2',6',7-tribromo-5-(hydroxymethyl)spiro[3H-1-benzofuran-2,4'-cyclohexa-2,5-diene]-1'-one.
Chemical Property Profile of Thelepin
Property Insights of Thelepin
The XLogP value of 3.8 indicates that Thelepin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Thelepin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thelepin has 1 hydrogen bond donor(s) and 3 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 Thelepin?
The CAS number of Thelepin is 52498-93-8.
What is the molecular formula of Thelepin?
The molecular formula of Thelepin is C14H9Br3O3.
What is the molecular weight of Thelepin?
The molecular weight of Thelepin is 461.81 g/mol.
Where can I buy Thelepin?
You can request a quote for Thelepin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thelepin?
Yes, KEHONG BIO provides custom synthesis services for Thelepin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.