辛搭烯
TL;DR: 辛搭烯 (CAS 531-45-3) is a chemical compound with molecular formula C14H12 and molecular weight 180.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
辛搭烯
octalene
Also Known As: Octalene, Heptafulvalene, Cyclooctacyclooctene, delta1,1 -Bi(2,4,6-cycloheptene), delta7,7 -Bi[1,3,5-cycloheptatriene]
| Molecular Formula | C14H12 |
|---|---|
| Molecular Weight | 180.09 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.0939 |
| Heavy Atoms | 14 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 531-45-3 |
|---|---|
| SMILES | C1=CC=CC2=C(C=C1)C=CC=CC=C2 |
| InChIKey | OVPVGJFDFSJUIG-UHFFFAOYSA-N |
Product Overview
辛搭烯 (CAS 531-45-3), with molecular formula C14H12 and molecular weight 180.09 g/mol. IUPAC: octalene.
Chemical Property Profile of 辛搭烯
Property Insights of 辛搭烯
The XLogP value of 4.3 indicates that 辛搭烯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 辛搭烯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 辛搭烯 has 0 hydrogen bond donor(s) and 0 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 辛搭烯?
The CAS number of 辛搭烯 is 531-45-3.
What is the molecular formula of 辛搭烯?
The molecular formula of 辛搭烯 is C14H12.
What is the molecular weight of 辛搭烯?
The molecular weight of 辛搭烯 is 180.09 g/mol.
Where can I buy 辛搭烯?
You can request a quote for 辛搭烯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 辛搭烯?
Yes, KEHONG BIO provides custom synthesis services for 辛搭烯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.