1-Pentanone, 1,5-dicyclohexyl-4,4-dimethyl-5-(dimethylamino)-, citrate
TL;DR: 1-Pentanone, 1,5-dicyclohexyl-4,4-dimethyl-5-(dimethylamino)-, citrate (CAS 4219-99-2) is a chemical compound with molecular formula C27H47NO8 and molecular weight 513.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-dicyclohexyl-5-(dimethylamino)-4,4-dimethylpentan-1-one;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: 1,5-Dicyclohexyl-4,4-dimethyl-5-(dimethylamino)-1-pentanone citrate, 1-Pentanone, 1,5-dicyclohexyl-4,4-dimethyl-5-(dimethylamino)-, citrate, 1,5-dicyclohexyl-5-(dimethylamino)-4,4-dimethylpentan-1-one; 2-hydroxypropane-1,2,3-tricarboxylic acid, 2-Hydroxypropane-1,2,3-tricarboxylic acid--1,5-dicyclohexyl-5-(dimethylamino)-4,4-dimethylpentan-1-one (1/1), RefChem:1056196
| Molecular Formula | C27H47NO8 |
|---|---|
| Molecular Weight | 513.33 g/mol |
| LogP | 4.2042 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 513.33014 |
| Heavy Atoms | 36 |
| Complexity | 589.0 |
Chemical Identifiers
| CAS Number | 4219-99-2 |
|---|---|
| SMILES | CC(C)(CCC(=O)C1CCCCC1)C(C2CCCCC2)N(C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InChIKey | JUAUECHEOQXPLO-UHFFFAOYSA-N |
Product Overview
1-Pentanone, 1,5-dicyclohexyl-4,4-dimethyl-5-(dimethylamino)-, citrate (CAS 4219-99-2), with molecular formula C27H47NO8 and molecular weight 513.33 g/mol. IUPAC: 1,5-dicyclohexyl-5-(dimethylamino)-4,4-dimethylpentan-1-one;2-hydroxypropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of 1-Pentanone, 1,5-dicyclohexyl-4,4-dimethyl-5-(dimethylamino)-, citrate
Property Insights of 1-Pentanone, 1,5-dicyclohexyl-4,4-dimethyl-5-(dimethylamino)-, citrate
The XLogP value of 4.2042 indicates that 1-Pentanone, 1,5-dicyclohexyl-4,4-dimethyl-5-(dimethylamino)-, citrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 152.0 Ų indicates high polarity, suggesting 1-Pentanone, 1,5-dicyclohexyl-4,4-dimethyl-5-(dimethylamino)-, citrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Pentanone, 1,5-dicyclohexyl-4,4-dimethyl-5-(dimethylamino)-, citrate has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Pentanone, 1,5-dicyclohexyl-4,4-dimethyl-5-(dimethylamino)-, citrate?
The CAS number of 1-Pentanone, 1,5-dicyclohexyl-4,4-dimethyl-5-(dimethylamino)-, citrate is 4219-99-2.
What is the molecular formula of 1-Pentanone, 1,5-dicyclohexyl-4,4-dimethyl-5-(dimethylamino)-, citrate?
The molecular formula of 1-Pentanone, 1,5-dicyclohexyl-4,4-dimethyl-5-(dimethylamino)-, citrate is C27H47NO8.
What is the molecular weight of 1-Pentanone, 1,5-dicyclohexyl-4,4-dimethyl-5-(dimethylamino)-, citrate?
The molecular weight of 1-Pentanone, 1,5-dicyclohexyl-4,4-dimethyl-5-(dimethylamino)-, citrate is 513.33 g/mol.
Where can I buy 1-Pentanone, 1,5-dicyclohexyl-4,4-dimethyl-5-(dimethylamino)-, citrate?
You can request a quote for 1-Pentanone, 1,5-dicyclohexyl-4,4-dimethyl-5-(dimethylamino)-, citrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Pentanone, 1,5-dicyclohexyl-4,4-dimethyl-5-(dimethylamino)-, citrate?
Yes, KEHONG BIO provides custom synthesis services for 1-Pentanone, 1,5-dicyclohexyl-4,4-dimethyl-5-(dimethylamino)-, citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.