3-Hydroxy-2-methoxycyclohepta-2,4,6-trien-1-one
TL;DR: 3-Hydroxy-2-methoxycyclohepta-2,4,6-trien-1-one (CAS 690233-31-9) is a chemical compound with molecular formula C8H8O3 and molecular weight 152.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-2-methoxycyclohepta-2,4,6-trien-1-one
Also Known As: 3-hydroxy-2-methoxycyclohepta-2,4,6-trien-1-one, J2.113.547J, 2,4,6-Cycloheptatrien-1-one,3-hydroxy-2-methoxy-, 3-Hydroxy-2-methoxy-2,4,6-cycloheptatriene-1-one, 2,4,6-Cycloheptatrien-1-one, 3-hydroxy-2-methoxy-
| Molecular Formula | C8H8O3 |
|---|---|
| Molecular Weight | 152.05 g/mol |
| LogP | 0.761 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 152.04735 |
| Heavy Atoms | 11 |
| Complexity | 306.4058 |
Chemical Identifiers
| CAS Number | 690233-31-9 |
|---|---|
| SMILES | COC1=C(C=CC=CC1=O)O |
Product Overview
3-Hydroxy-2-methoxycyclohepta-2,4,6-trien-1-one (CAS 690233-31-9), with molecular formula C8H8O3 and molecular weight 152.05 g/mol. IUPAC: 3-hydroxy-2-methoxycyclohepta-2,4,6-trien-1-one.
Chemical Property Profile of 3-Hydroxy-2-methoxycyclohepta-2,4,6-trien-1-one
Property Insights of 3-Hydroxy-2-methoxycyclohepta-2,4,6-trien-1-one
The XLogP value of 0.761 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-2-methoxycyclohepta-2,4,6-trien-1-one. With a topological polar surface area (TPSA) of 46.53 Ų, 3-Hydroxy-2-methoxycyclohepta-2,4,6-trien-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-2-methoxycyclohepta-2,4,6-trien-1-one 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 3-Hydroxy-2-methoxycyclohepta-2,4,6-trien-1-one?
The CAS number of 3-Hydroxy-2-methoxycyclohepta-2,4,6-trien-1-one is 690233-31-9.
What is the molecular formula of 3-Hydroxy-2-methoxycyclohepta-2,4,6-trien-1-one?
The molecular formula of 3-Hydroxy-2-methoxycyclohepta-2,4,6-trien-1-one is C8H8O3.
What is the molecular weight of 3-Hydroxy-2-methoxycyclohepta-2,4,6-trien-1-one?
The molecular weight of 3-Hydroxy-2-methoxycyclohepta-2,4,6-trien-1-one is 152.05 g/mol.
Where can I buy 3-Hydroxy-2-methoxycyclohepta-2,4,6-trien-1-one?
You can request a quote for 3-Hydroxy-2-methoxycyclohepta-2,4,6-trien-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-2-methoxycyclohepta-2,4,6-trien-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-2-methoxycyclohepta-2,4,6-trien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.