Methyl 6-heptynoate
TL;DR: Methyl 6-heptynoate (CAS 56909-02-5) is a chemical compound with molecular formula C8H12O2 and molecular weight 140.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl hept-6-ynoate
Also Known As: methyl hept-6-ynoate, Methyl 6-heptynoate, 6-Heptynoic acid methyl ester, Methyl 6-heptynoate #, 6-Heptynoic acid, methyl ester
| Molecular Formula | C8H12O2 |
|---|---|
| Molecular Weight | 140.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 140.08372 |
| Heavy Atoms | 10 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 56909-02-5 |
|---|---|
| SMILES | COC(=O)CCCCC#C |
| InChIKey | SIAYBFIHWUHVRJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 6-heptynoate (CAS 56909-02-5), with molecular formula C8H12O2 and molecular weight 140.08 g/mol. IUPAC: methyl hept-6-ynoate.
Chemical Property Profile of Methyl 6-heptynoate
Property Insights of Methyl 6-heptynoate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 6-heptynoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 6-heptynoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 6-heptynoate 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 Methyl 6-heptynoate?
The CAS number of Methyl 6-heptynoate is 56909-02-5.
What is the molecular formula of Methyl 6-heptynoate?
The molecular formula of Methyl 6-heptynoate is C8H12O2.
What is the molecular weight of Methyl 6-heptynoate?
The molecular weight of Methyl 6-heptynoate is 140.08 g/mol.
Where can I buy Methyl 6-heptynoate?
You can request a quote for Methyl 6-heptynoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 6-heptynoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 6-heptynoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.