Phenylheptatriyne
TL;DR: Phenylheptatriyne (CAS 4300-27-0) is a chemical compound with molecular formula C13H8 and molecular weight 164.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hepta-1,3,5-triynylbenzene
Also Known As: Phenylheptatriyne, 1-Phenyl-1,3,5-heptatriyne, hepta-1,3,5-triynylbenzene, 1,3,5-Heptatriynyl-benzene, 1-Phenylhepta-1,3,5-triyne
| Molecular Formula | C13H8 |
|---|---|
| Molecular Weight | 164.06 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 164.0626 |
| Heavy Atoms | 13 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 4300-27-0 |
|---|---|
| SMILES | CC#CC#CC#CC1=CC=CC=C1 |
| InChIKey | ACKWHAMNCLDPRO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenylheptatriyne (CAS 4300-27-0), with molecular formula C13H8 and molecular weight 164.06 g/mol. IUPAC: hepta-1,3,5-triynylbenzene.
Chemical Property Profile of Phenylheptatriyne
Property Insights of Phenylheptatriyne
The XLogP value of 3.5 indicates that Phenylheptatriyne is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Phenylheptatriyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenylheptatriyne 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 Phenylheptatriyne?
The CAS number of Phenylheptatriyne is 4300-27-0.
What is the molecular formula of Phenylheptatriyne?
The molecular formula of Phenylheptatriyne is C13H8.
What is the molecular weight of Phenylheptatriyne?
The molecular weight of Phenylheptatriyne is 164.06 g/mol.
Where can I buy Phenylheptatriyne?
You can request a quote for Phenylheptatriyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylheptatriyne?
Yes, KEHONG BIO provides custom synthesis services for Phenylheptatriyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.