Pentyl hept-2-ynoate
TL;DR: Pentyl hept-2-ynoate (CAS 77214-85-8) is a chemical compound with molecular formula C12H20O2 and molecular weight 196.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl hept-2-ynoate
Also Known As: pentyl hept-2-ynoate, 2-Heptynoic acid,pentyl ester
| Molecular Formula | C12H20O2 |
|---|---|
| Molecular Weight | 196.15 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 196.14633 |
| Heavy Atoms | 14 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 77214-85-8 |
|---|---|
| SMILES | CCCCCOC(=O)C#CCCCC |
| InChIKey | YKSQVHRAXYKFIK-UHFFFAOYSA-N |
Product Overview
Pentyl hept-2-ynoate (CAS 77214-85-8), with molecular formula C12H20O2 and molecular weight 196.15 g/mol. IUPAC: pentyl hept-2-ynoate.
Chemical Property Profile of Pentyl hept-2-ynoate
Property Insights of Pentyl hept-2-ynoate
The XLogP value of 4.4 indicates that Pentyl hept-2-ynoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Pentyl hept-2-ynoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentyl hept-2-ynoate has 0 hydrogen bond donor(s) and 2 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 Pentyl hept-2-ynoate?
The CAS number of Pentyl hept-2-ynoate is 77214-85-8.
What is the molecular formula of Pentyl hept-2-ynoate?
The molecular formula of Pentyl hept-2-ynoate is C12H20O2.
What is the molecular weight of Pentyl hept-2-ynoate?
The molecular weight of Pentyl hept-2-ynoate is 196.15 g/mol.
Where can I buy Pentyl hept-2-ynoate?
You can request a quote for Pentyl hept-2-ynoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentyl hept-2-ynoate?
Yes, KEHONG BIO provides custom synthesis services for Pentyl hept-2-ynoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.