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Methyl 8-[(1s,2r)-2-octylcyclopropyl]octanoate
TL;DR: Methyl 8-[(1s,2r)-2-octylcyclopropyl]octanoate (CAS 3971-54-8) is a chemical compound with molecular formula C20H38O2 and molecular weight 310.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 8-[(1S,2R)-2-octylcyclopropyl]octanoate
Also Known As: Methyl dihydrosterculate, methyl 8-[(1s,2r)-2-octylcyclopropyl]octanoate, METHYL DIHYDROSTERULATE, Methyl 2-octylcyclopropaneoctanoate cis-, Methyl cis-9,10-methyleneoctadecanoate
| Molecular Formula | C20H38O2 |
|---|---|
| Molecular Weight | 310.29 g/mol |
| LogP | 8.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 16 |
| Exact Mass | 310.28717 |
| Heavy Atoms | 22 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 3971-54-8 |
|---|---|
| SMILES | CCCCCCCC[C@@H]1C[C@@H]1CCCCCCCC(=O)OC |
| InChIKey | WKDUVICSOMXTKJ-MOPGFXCFSA-N |
Product Overview
Methyl 8-[(1s,2r)-2-octylcyclopropyl]octanoate (CAS 3971-54-8), with molecular formula C20H38O2 and molecular weight 310.29 g/mol. IUPAC: methyl 8-[(1S,2R)-2-octylcyclopropyl]octanoate.
Chemical Property Profile of Methyl 8-[(1s,2r)-2-octylcyclopropyl]octanoate
Property Insights of Methyl 8-[(1s,2r)-2-octylcyclopropyl]octanoate
The XLogP value of 8.3 indicates that Methyl 8-[(1s,2r)-2-octylcyclopropyl]octanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 8-[(1s,2r)-2-octylcyclopropyl]octanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 8-[(1s,2r)-2-octylcyclopropyl]octanoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 8-[(1s,2r)-2-octylcyclopropyl]octanoate?
The CAS number of Methyl 8-[(1s,2r)-2-octylcyclopropyl]octanoate is 3971-54-8.
What is the molecular formula of Methyl 8-[(1s,2r)-2-octylcyclopropyl]octanoate?
The molecular formula of Methyl 8-[(1s,2r)-2-octylcyclopropyl]octanoate is C20H38O2.
What is the molecular weight of Methyl 8-[(1s,2r)-2-octylcyclopropyl]octanoate?
The molecular weight of Methyl 8-[(1s,2r)-2-octylcyclopropyl]octanoate is 310.29 g/mol.
Where can I buy Methyl 8-[(1s,2r)-2-octylcyclopropyl]octanoate?
You can request a quote for Methyl 8-[(1s,2r)-2-octylcyclopropyl]octanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 8-[(1s,2r)-2-octylcyclopropyl]octanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 8-[(1s,2r)-2-octylcyclopropyl]octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.