((Pent-4-yn-1-yloxy)methyl)benzene
TL;DR: ((Pent-4-yn-1-yloxy)methyl)benzene (CAS 57618-47-0) is a chemical compound with molecular formula C12H14O and molecular weight 174.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pent-4-ynoxymethylbenzene
Also Known As: pent-4-ynoxymethylbenzene, ((pent-4-yn-1-yloxy)methyl)benzene, 4-Pentynylbenzyl ether, UPCMLD00WJLM60, 5-benzyloxy-1-pentyne
| Molecular Formula | C12H14O |
|---|---|
| Molecular Weight | 174.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 174.10446 |
| Heavy Atoms | 13 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 57618-47-0 |
|---|---|
| SMILES | C#CCCCOCC1=CC=CC=C1 |
| InChIKey | DKGGHTXWRQZICB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
((Pent-4-yn-1-yloxy)methyl)benzene (CAS 57618-47-0), with molecular formula C12H14O and molecular weight 174.10 g/mol. IUPAC: pent-4-ynoxymethylbenzene.
Chemical Property Profile of ((Pent-4-yn-1-yloxy)methyl)benzene
Property Insights of ((Pent-4-yn-1-yloxy)methyl)benzene
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ((Pent-4-yn-1-yloxy)methyl)benzene. With a topological polar surface area (TPSA) of 9.2 Ų, ((Pent-4-yn-1-yloxy)methyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ((Pent-4-yn-1-yloxy)methyl)benzene 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 ((Pent-4-yn-1-yloxy)methyl)benzene?
The CAS number of ((Pent-4-yn-1-yloxy)methyl)benzene is 57618-47-0.
What is the molecular formula of ((Pent-4-yn-1-yloxy)methyl)benzene?
The molecular formula of ((Pent-4-yn-1-yloxy)methyl)benzene is C12H14O.
What is the molecular weight of ((Pent-4-yn-1-yloxy)methyl)benzene?
The molecular weight of ((Pent-4-yn-1-yloxy)methyl)benzene is 174.10 g/mol.
Where can I buy ((Pent-4-yn-1-yloxy)methyl)benzene?
You can request a quote for ((Pent-4-yn-1-yloxy)methyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ((Pent-4-yn-1-yloxy)methyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for ((Pent-4-yn-1-yloxy)methyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.