1-甲氧基-1,3,5-环庚三烯
TL;DR: 1-甲氧基-1,3,5-环庚三烯 (CAS 1728-32-1) is a chemical compound with molecular formula C8H10O and molecular weight 122.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-甲氧基-1,3,5-环庚三烯
1-methoxycyclohepta-1,3,5-triene
Also Known As: 1-Methoxytropilidene, 1-methoxycyclohepta-1,3,5-triene, 1-Methoxy-1,3,5-cycloheptatriene, 1-Methoxycycloheptatriene, methoxycycloheptatriene
| Molecular Formula | C8H10O |
|---|---|
| Molecular Weight | 122.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 122.073166 |
| Heavy Atoms | 9 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 1728-32-1 |
|---|---|
| SMILES | COC1=CC=CC=CC1 |
| InChIKey | VYHWQHYSUMPIHU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-甲氧基-1,3,5-环庚三烯 (CAS 1728-32-1), with molecular formula C8H10O and molecular weight 122.07 g/mol. IUPAC: 1-methoxycyclohepta-1,3,5-triene.
Chemical Property Profile of 1-甲氧基-1,3,5-环庚三烯
Property Insights of 1-甲氧基-1,3,5-环庚三烯
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-甲氧基-1,3,5-环庚三烯. With a topological polar surface area (TPSA) of 9.2 Ų, 1-甲氧基-1,3,5-环庚三烯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-甲氧基-1,3,5-环庚三烯 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-甲氧基-1,3,5-环庚三烯?
The CAS number of 1-甲氧基-1,3,5-环庚三烯 is 1728-32-1.
What is the molecular formula of 1-甲氧基-1,3,5-环庚三烯?
The molecular formula of 1-甲氧基-1,3,5-环庚三烯 is C8H10O.
What is the molecular weight of 1-甲氧基-1,3,5-环庚三烯?
The molecular weight of 1-甲氧基-1,3,5-环庚三烯 is 122.07 g/mol.
Where can I buy 1-甲氧基-1,3,5-环庚三烯?
You can request a quote for 1-甲氧基-1,3,5-环庚三烯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-甲氧基-1,3,5-环庚三烯?
Yes, KEHONG BIO provides custom synthesis services for 1-甲氧基-1,3,5-环庚三烯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.