(1,1'-Bicyclopropyl)-2-octanoic acid, 2'-hexyl-, methyl ester
TL;DR: (1,1'-Bicyclopropyl)-2-octanoic acid, 2'-hexyl-, methyl ester (CAS 56687-68-4) is a chemical compound with molecular formula C21H38O2 and molecular weight 322.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 8-[2-(2-hexylcyclopropyl)cyclopropyl]octanoate
Also Known As: [1,1'-Bicyclopropyl]-2-octanoic acid, 2'-hexyl-, methyl ester|methyl 8-[2-(2-hexylcyclopropyl)cyclopropyl]octanoate|2'-Hexyl-1,1'-bicyclopropane-2-octanoic acid methyl ester|Methyl 8-[2'-hexyl[1,1'-bi(cyclopropan)]-2-yl]octanoate|methyl 8-{2'-hexyl-[1,1'-bi(cyclopropane)]-2-yl}octanoate|(1,1'-Bicyclopropyl)-2-octanoic acid, 2'-hexyl-, methyl ester|2 -Hexyl-1,1 -bicyclopropane-2-octanoic acid methyl ester|RefChem:1049169|DTXCID901474211|BNXIGQHDTCPKMN-UHFFFAOYSA-N
| Molecular Formula | C21H38O2 |
|---|---|
| Molecular Weight | 322.29 g/mol |
| LogP | 8.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 15 |
| Exact Mass | 322.28717 |
| Heavy Atoms | 23 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 56687-68-4 |
|---|---|
| SMILES | CCCCCCC1CC1C2CC2CCCCCCCC(=O)OC |
| InChIKey | BNXIGQHDTCPKMN-UHFFFAOYSA-N |
Product Overview
(1,1'-Bicyclopropyl)-2-octanoic acid, 2'-hexyl-, methyl ester (CAS 56687-68-4), with molecular formula C21H38O2 and molecular weight 322.29 g/mol. IUPAC: methyl 8-[2-(2-hexylcyclopropyl)cyclopropyl]octanoate.
Chemical Property Profile of (1,1'-Bicyclopropyl)-2-octanoic acid, 2'-hexyl-, methyl ester
Property Insights of (1,1'-Bicyclopropyl)-2-octanoic acid, 2'-hexyl-, methyl ester
The XLogP value of 8.0 indicates that (1,1'-Bicyclopropyl)-2-octanoic acid, 2'-hexyl-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, (1,1'-Bicyclopropyl)-2-octanoic acid, 2'-hexyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1,1'-Bicyclopropyl)-2-octanoic acid, 2'-hexyl-, methyl ester 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 (1,1'-Bicyclopropyl)-2-octanoic acid, 2'-hexyl-, methyl ester?
The CAS number of (1,1'-Bicyclopropyl)-2-octanoic acid, 2'-hexyl-, methyl ester is 56687-68-4.
What is the molecular formula of (1,1'-Bicyclopropyl)-2-octanoic acid, 2'-hexyl-, methyl ester?
The molecular formula of (1,1'-Bicyclopropyl)-2-octanoic acid, 2'-hexyl-, methyl ester is C21H38O2.
What is the molecular weight of (1,1'-Bicyclopropyl)-2-octanoic acid, 2'-hexyl-, methyl ester?
The molecular weight of (1,1'-Bicyclopropyl)-2-octanoic acid, 2'-hexyl-, methyl ester is 322.29 g/mol.
Where can I buy (1,1'-Bicyclopropyl)-2-octanoic acid, 2'-hexyl-, methyl ester?
You can request a quote for (1,1'-Bicyclopropyl)-2-octanoic acid, 2'-hexyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,1'-Bicyclopropyl)-2-octanoic acid, 2'-hexyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for (1,1'-Bicyclopropyl)-2-octanoic acid, 2'-hexyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.