![2-[methyl(propan-2-yl)amino]propyl cyclohex-2-en-1-yl(phenyl)acetate 2-hydroxypropane-1,2,3-tricarboxylate(1:1) structure](/static/products/6145/614-54-0.webp)
2-[methyl(propan-2-yl)amino]propyl cyclohex-2-en-1-yl(phenyl)acetate 2-hydroxypropane-1,2,3-tricarboxylate(1:1)
TL;DR: 2-[methyl(propan-2-yl)amino]propyl cyclohex-2-en-1-yl(phenyl)acetate 2-hydroxypropane-1,2,3-tricarboxylate(1:1) (CAS 614-54-0) is a chemical compound with molecular formula C27H39NO9 and molecular weight 521.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxypropane-1,2,3-tricarboxylic acid;2-[methyl(propan-2-yl)amino]propyl 2-cyclohex-2-en-1-yl-2-phenylacetate
Also Known As: 2-[methyl(propan-2-yl)amino]propyl cyclohex-2-en-1-yl(phenyl)acetate 2-hydroxypropane-1,2,3-tricarboxylate(1:1), 2-hydroxypropane-1,2,3-tricarboxylic acid,2-[methyl(propan-2, 2-hydroxypropane-1,2,3-tricarboxylic acid,2-[methyl(propan-2-yl)amino]propyl 2-cyclohex-2-en-1-yl-2-phenylacetate, 2-Hydroxypropane-1,2,3-tricarboxylic acid--2-[methyl(propan-2-yl)amino]propyl (cyclohex-2-en-1-yl)(phenyl)acetate (1/1), 2-hydroxypropane-1,2,3-tricarboxylic acid; 2-[methyl(propan-2-yl)amino]propyl 2-cyclohex-2-en-1-yl-2-phenylacetate
| Molecular Formula | C27H39NO9 |
|---|---|
| Molecular Weight | 521.26 g/mol |
| LogP | 3.1499 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 13 |
| Exact Mass | 521.2625 |
| Heavy Atoms | 37 |
| Complexity | 639.0 |
Chemical Identifiers
| CAS Number | 614-54-0 |
|---|---|
| SMILES | CC(C)N(C)C(C)COC(=O)C(C1CCCC=C1)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InChIKey | HCZCVKSENHBJGZ-UHFFFAOYSA-N |
Product Overview
2-[methyl(propan-2-yl)amino]propyl cyclohex-2-en-1-yl(phenyl)acetate 2-hydroxypropane-1,2,3-tricarboxylate(1:1) (CAS 614-54-0), with molecular formula C27H39NO9 and molecular weight 521.26 g/mol. IUPAC: 2-hydroxypropane-1,2,3-tricarboxylic acid;2-[methyl(propan-2-yl)amino]propyl 2-cyclohex-2-en-1-yl-2-phenylacetate.
Chemical Property Profile of 2-[methyl(propan-2-yl)amino]propyl cyclohex-2-en-1-yl(phenyl)acetate 2-hydroxypropane-1,2,3-tricarboxylate(1:1)
Property Insights of 2-[methyl(propan-2-yl)amino]propyl cyclohex-2-en-1-yl(phenyl)acetate 2-hydroxypropane-1,2,3-tricarboxylate(1:1)
The XLogP value of 3.1499 indicates that 2-[methyl(propan-2-yl)amino]propyl cyclohex-2-en-1-yl(phenyl)acetate 2-hydroxypropane-1,2,3-tricarboxylate(1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 162.0 Ų indicates high polarity, suggesting 2-[methyl(propan-2-yl)amino]propyl cyclohex-2-en-1-yl(phenyl)acetate 2-hydroxypropane-1,2,3-tricarboxylate(1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[methyl(propan-2-yl)amino]propyl cyclohex-2-en-1-yl(phenyl)acetate 2-hydroxypropane-1,2,3-tricarboxylate(1:1) has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[methyl(propan-2-yl)amino]propyl cyclohex-2-en-1-yl(phenyl)acetate 2-hydroxypropane-1,2,3-tricarboxylate(1:1)?
The CAS number of 2-[methyl(propan-2-yl)amino]propyl cyclohex-2-en-1-yl(phenyl)acetate 2-hydroxypropane-1,2,3-tricarboxylate(1:1) is 614-54-0.
What is the molecular formula of 2-[methyl(propan-2-yl)amino]propyl cyclohex-2-en-1-yl(phenyl)acetate 2-hydroxypropane-1,2,3-tricarboxylate(1:1)?
The molecular formula of 2-[methyl(propan-2-yl)amino]propyl cyclohex-2-en-1-yl(phenyl)acetate 2-hydroxypropane-1,2,3-tricarboxylate(1:1) is C27H39NO9.
What is the molecular weight of 2-[methyl(propan-2-yl)amino]propyl cyclohex-2-en-1-yl(phenyl)acetate 2-hydroxypropane-1,2,3-tricarboxylate(1:1)?
The molecular weight of 2-[methyl(propan-2-yl)amino]propyl cyclohex-2-en-1-yl(phenyl)acetate 2-hydroxypropane-1,2,3-tricarboxylate(1:1) is 521.26 g/mol.
Where can I buy 2-[methyl(propan-2-yl)amino]propyl cyclohex-2-en-1-yl(phenyl)acetate 2-hydroxypropane-1,2,3-tricarboxylate(1:1)?
You can request a quote for 2-[methyl(propan-2-yl)amino]propyl cyclohex-2-en-1-yl(phenyl)acetate 2-hydroxypropane-1,2,3-tricarboxylate(1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[methyl(propan-2-yl)amino]propyl cyclohex-2-en-1-yl(phenyl)acetate 2-hydroxypropane-1,2,3-tricarboxylate(1:1)?
Yes, KEHONG BIO provides custom synthesis services for 2-[methyl(propan-2-yl)amino]propyl cyclohex-2-en-1-yl(phenyl)acetate 2-hydroxypropane-1,2,3-tricarboxylate(1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.