1-Methoxycyclohexa-1,3-dien-5-yne
TL;DR: 1-Methoxycyclohexa-1,3-dien-5-yne (CAS 33543-19-0) is a chemical compound with molecular formula C7H6O and molecular weight 106.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methoxycyclohexa-1,2,3,5-tetraene
Also Known As: 3-Methoxybenzyne, m-methoxybenzyne, 1-methoxycyclohexa-1,3-dien-5-yne, 2,3-Didehydroanisole, 3-Methoxy-1,2-didehydrobenzene
| Molecular Formula | C7H6O |
|---|---|
| Molecular Weight | 106.04 g/mol |
| LogP | 1.3967 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 106.04186 |
| Heavy Atoms | 8 |
| Complexity | 198.42671 |
Chemical Identifiers
| CAS Number | 33543-19-0 |
|---|---|
| SMILES | COC1=C=C=CC=C1 |
Product Overview
1-Methoxycyclohexa-1,3-dien-5-yne (CAS 33543-19-0), with molecular formula C7H6O and molecular weight 106.04 g/mol. IUPAC: 1-methoxycyclohexa-1,2,3,5-tetraene.
Chemical Property Profile of 1-Methoxycyclohexa-1,3-dien-5-yne
Property Insights of 1-Methoxycyclohexa-1,3-dien-5-yne
The XLogP value of 1.3967 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methoxycyclohexa-1,3-dien-5-yne. With a topological polar surface area (TPSA) of 9.23 Ų, 1-Methoxycyclohexa-1,3-dien-5-yne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methoxycyclohexa-1,3-dien-5-yne has 0 hydrogen bond donor(s) and 1 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 1-Methoxycyclohexa-1,3-dien-5-yne?
The CAS number of 1-Methoxycyclohexa-1,3-dien-5-yne is 33543-19-0.
What is the molecular formula of 1-Methoxycyclohexa-1,3-dien-5-yne?
The molecular formula of 1-Methoxycyclohexa-1,3-dien-5-yne is C7H6O.
What is the molecular weight of 1-Methoxycyclohexa-1,3-dien-5-yne?
The molecular weight of 1-Methoxycyclohexa-1,3-dien-5-yne is 106.04 g/mol.
Where can I buy 1-Methoxycyclohexa-1,3-dien-5-yne?
You can request a quote for 1-Methoxycyclohexa-1,3-dien-5-yne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methoxycyclohexa-1,3-dien-5-yne?
Yes, KEHONG BIO provides custom synthesis services for 1-Methoxycyclohexa-1,3-dien-5-yne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.