RefChem:86613
TL;DR: RefChem:86613 (CAS 67939-53-1) is a chemical compound with molecular formula C23H43NO5 and molecular weight 413.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-aminoethanol;5-(7-carboxyheptyl)-2-hexylcyclohex-3-ene-1-carboxylic acid
Also Known As: 5-Carboxy-4-hexyl-2-cyclohexene-1-octanoic acid ethanolamine salt (1:1), 2-Cyclohexene-1-octanoic acid, 5-carboxy-4-hexyl-, compd. with 2-aminoethanol (1:1), 5-Carboxy-4-hexyl-2-cyclohexene-1-octanoic acid, compd. with 2-aminoethanol (1:1), 5-Carboxy-4-hexyl-2-cyclohexene-1-octanoic acid, compound with 2-aminoethanol (1:1), 5-Carboxy-4-hexylcyclohex-2-ene-1-octanoic acid, compound with 2-aminoethanol (1:1)
| Molecular Formula | C23H43NO5 |
|---|---|
| Molecular Weight | 413.31 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 15 |
| Exact Mass | 413.31412 |
| Heavy Atoms | 29 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 67939-53-1 |
|---|---|
| SMILES | CCCCCCC1C=CC(CC1C(=O)O)CCCCCCCC(=O)O.C(CO)N |
| InChIKey | WJSMHCRJYTZKHE-UHFFFAOYSA-N |
Product Overview
RefChem:86613 (CAS 67939-53-1), with molecular formula C23H43NO5 and molecular weight 413.31 g/mol. IUPAC: 2-aminoethanol;5-(7-carboxyheptyl)-2-hexylcyclohex-3-ene-1-carboxylic acid.
Chemical Property Profile of RefChem:86613
Property Insights of RefChem:86613
The XLogP value of 4.6 indicates that RefChem:86613 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:86613. Following Lipinski's Rule of Five, RefChem:86613 has 4 hydrogen bond donor(s) and 6 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 RefChem:86613?
The CAS number of RefChem:86613 is 67939-53-1.
What is the molecular formula of RefChem:86613?
The molecular formula of RefChem:86613 is C23H43NO5.
What is the molecular weight of RefChem:86613?
The molecular weight of RefChem:86613 is 413.31 g/mol.
Where can I buy RefChem:86613?
You can request a quote for RefChem:86613 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:86613?
Yes, KEHONG BIO provides custom synthesis services for RefChem:86613 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.