6-Iodobenzovesamicol
TL;DR: 6-Iodobenzovesamicol (CAS 139399-80-7) is a chemical compound with molecular formula C21H24INO and molecular weight 433.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S)-6-iodo-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
Also Known As: 6-Iodobenzovesamicol, 6-Ibvm, (2S,3S)-6-iodo-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol, 6-iodo-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol, 6-Iodo-1,2,3,4-tetrahydro-3beta-(4-phenyl-1-piperidinyl)naphthalen-2alpha-ol
| Molecular Formula | C21H24INO |
|---|---|
| Molecular Weight | 433.09 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 433.09027 |
| Heavy Atoms | 24 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 139399-80-7 |
|---|---|
| SMILES | C1CN(CCC1C2=CC=CC=C2)[C@H]3CC4=C(C[C@@H]3O)C=CC(=C4)I |
| InChIKey | GJSOCNMEZIDMNM-SFTDATJTSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Iodobenzovesamicol (CAS 139399-80-7), with molecular formula C21H24INO and molecular weight 433.09 g/mol. IUPAC: (2S,3S)-6-iodo-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol.
Chemical Property Profile of 6-Iodobenzovesamicol
Property Insights of 6-Iodobenzovesamicol
The XLogP value of 4.6 indicates that 6-Iodobenzovesamicol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.5 Ų, 6-Iodobenzovesamicol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Iodobenzovesamicol has 1 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 6-Iodobenzovesamicol?
The CAS number of 6-Iodobenzovesamicol is 139399-80-7.
What is the molecular formula of 6-Iodobenzovesamicol?
The molecular formula of 6-Iodobenzovesamicol is C21H24INO.
What is the molecular weight of 6-Iodobenzovesamicol?
The molecular weight of 6-Iodobenzovesamicol is 433.09 g/mol.
Where can I buy 6-Iodobenzovesamicol?
You can request a quote for 6-Iodobenzovesamicol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Iodobenzovesamicol?
Yes, KEHONG BIO provides custom synthesis services for 6-Iodobenzovesamicol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.