Benzene, 4-heptynyl-
TL;DR: Benzene, 4-heptynyl- (CAS 56293-03-9) is a chemical compound with molecular formula C13H16 and molecular weight 172.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hept-4-ynylbenzene
Also Known As: 4-Heptynylbenzene, hept-4-ynylbenzene, Benzene, 4-heptynyl-, 4-Heptynylbenzene #, (hept-4-yn-1-yl)benzene
| Molecular Formula | C13H16 |
|---|---|
| Molecular Weight | 172.13 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 172.1252 |
| Heavy Atoms | 13 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 56293-03-9 |
|---|---|
| SMILES | CCC#CCCCC1=CC=CC=C1 |
| InChIKey | ZESYGCAGCCKBJY-UHFFFAOYSA-N |
Product Overview
Benzene, 4-heptynyl- (CAS 56293-03-9), with molecular formula C13H16 and molecular weight 172.13 g/mol. IUPAC: hept-4-ynylbenzene.
Chemical Property Profile of Benzene, 4-heptynyl-
Property Insights of Benzene, 4-heptynyl-
The XLogP value of 4.2 indicates that Benzene, 4-heptynyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzene, 4-heptynyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 4-heptynyl- 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 Benzene, 4-heptynyl-?
The CAS number of Benzene, 4-heptynyl- is 56293-03-9.
What is the molecular formula of Benzene, 4-heptynyl-?
The molecular formula of Benzene, 4-heptynyl- is C13H16.
What is the molecular weight of Benzene, 4-heptynyl-?
The molecular weight of Benzene, 4-heptynyl- is 172.13 g/mol.
Where can I buy Benzene, 4-heptynyl-?
You can request a quote for Benzene, 4-heptynyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 4-heptynyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 4-heptynyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.