RefChem:86606
TL;DR: RefChem:86606 (CAS 72245-40-0) is a chemical compound with molecular formula C45H84O4 and molecular weight 688.64 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dodecyl (1R,2R,5S)-5-(8-dodecoxy-8-oxooctyl)-2-hexylcyclohex-3-ene-1-carboxylate
Also Known As: 2-Cyclohexene-1-octanoic acid, 5(or 6)-((dodecyloxy)carbonyl)-4-hexyl-, dodecyl ester, 2-Cyclohexene-1-octanoic acid, 5(or 6)-[(dodecyloxy)carbonyl]-4-hexyl-, dodecyl ester, 2-Cyclohexene-1-octanoic acid, [(dodecyloxy)carbonyl]-4-hexyl-, dodecyl ester, dodecyl (1R,2R,5S)-5-(8-dodecoxy-8-oxooctyl)-2-hexylcyclohex-3-ene-1-carboxylate, RefChem:86606
| Molecular Formula | C45H84O4 |
|---|---|
| Molecular Weight | 688.64 g/mol |
| LogP | 14.4242 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 36 |
| Exact Mass | 688.63696 |
| Heavy Atoms | 49 |
| Complexity | 761.12463 |
Chemical Identifiers
| CAS Number | 72245-40-0 |
|---|---|
| SMILES | CCCCCCCCCCCCOC(=O)CCCCCCC[C@H]1C[C@H]([C@@H](C=C1)CCCCCC)C(=O)OCCCCCCCCCCCC |
Product Overview
RefChem:86606 (CAS 72245-40-0), with molecular formula C45H84O4 and molecular weight 688.64 g/mol. IUPAC: dodecyl (1R,2R,5S)-5-(8-dodecoxy-8-oxooctyl)-2-hexylcyclohex-3-ene-1-carboxylate.
Chemical Property Profile of RefChem:86606
Property Insights of RefChem:86606
The XLogP value of 14.4242 indicates that RefChem:86606 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, RefChem:86606 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:86606 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:86606?
The CAS number of RefChem:86606 is 72245-40-0.
What is the molecular formula of RefChem:86606?
The molecular formula of RefChem:86606 is C45H84O4.
What is the molecular weight of RefChem:86606?
The molecular weight of RefChem:86606 is 688.64 g/mol.
Where can I buy RefChem:86606?
You can request a quote for RefChem:86606 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:86606?
Yes, KEHONG BIO provides custom synthesis services for RefChem:86606 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.