4-O-(3-methyl-2-phenylpentanoyl) 1-O-(1-methylpiperidin-4-yl) but-2-enedioate
TL;DR: 4-O-(3-methyl-2-phenylpentanoyl) 1-O-(1-methylpiperidin-4-yl) but-2-enedioate (CAS 635-32-5) is a chemical compound with molecular formula C22H29NO5 and molecular weight 387.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-(3-methyl-2-phenylpentanoyl) 1-O-(1-methylpiperidin-4-yl) but-2-enedioate
Also Known As: EINECS 211-233-4, 3-Methyl-2-phenylvaleroyl 1-methyl-4-piperidyl fumarate, (1-methyl-4-piperidyl) (3-methyl-2-phenyl-pentanoyl) (E)-but-2-enedioate, Valeric acid, 3-methyl-2-phenyl-, 1-methyl-4-piperidyl ester, fumarate (1:1), Benzeneacetic acid, .alpha.-(1-methylpropyl)-, 1-methyl-4-piperidinyl ester, (E)-2-butenedioate (1:1)
| Molecular Formula | C22H29NO5 |
|---|---|
| Molecular Weight | 387.20 g/mol |
| LogP | 3.0797 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 387.20456 |
| Heavy Atoms | 28 |
| Complexity | 692.1385 |
Chemical Identifiers
| CAS Number | 635-32-5 |
|---|---|
| SMILES | CCC(C)C(C1=CC=CC=C1)C(=O)OC(=O)C=CC(=O)OC2CCN(CC2)C |
Product Overview
4-O-(3-methyl-2-phenylpentanoyl) 1-O-(1-methylpiperidin-4-yl) but-2-enedioate (CAS 635-32-5), with molecular formula C22H29NO5 and molecular weight 387.20 g/mol. IUPAC: 4-O-(3-methyl-2-phenylpentanoyl) 1-O-(1-methylpiperidin-4-yl) but-2-enedioate.
Chemical Property Profile of 4-O-(3-methyl-2-phenylpentanoyl) 1-O-(1-methylpiperidin-4-yl) but-2-enedioate
Property Insights of 4-O-(3-methyl-2-phenylpentanoyl) 1-O-(1-methylpiperidin-4-yl) but-2-enedioate
The XLogP value of 3.0797 indicates that 4-O-(3-methyl-2-phenylpentanoyl) 1-O-(1-methylpiperidin-4-yl) but-2-enedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-O-(3-methyl-2-phenylpentanoyl) 1-O-(1-methylpiperidin-4-yl) but-2-enedioate. Following Lipinski's Rule of Five, 4-O-(3-methyl-2-phenylpentanoyl) 1-O-(1-methylpiperidin-4-yl) but-2-enedioate has 0 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 4-O-(3-methyl-2-phenylpentanoyl) 1-O-(1-methylpiperidin-4-yl) but-2-enedioate?
The CAS number of 4-O-(3-methyl-2-phenylpentanoyl) 1-O-(1-methylpiperidin-4-yl) but-2-enedioate is 635-32-5.
What is the molecular formula of 4-O-(3-methyl-2-phenylpentanoyl) 1-O-(1-methylpiperidin-4-yl) but-2-enedioate?
The molecular formula of 4-O-(3-methyl-2-phenylpentanoyl) 1-O-(1-methylpiperidin-4-yl) but-2-enedioate is C22H29NO5.
What is the molecular weight of 4-O-(3-methyl-2-phenylpentanoyl) 1-O-(1-methylpiperidin-4-yl) but-2-enedioate?
The molecular weight of 4-O-(3-methyl-2-phenylpentanoyl) 1-O-(1-methylpiperidin-4-yl) but-2-enedioate is 387.20 g/mol.
Where can I buy 4-O-(3-methyl-2-phenylpentanoyl) 1-O-(1-methylpiperidin-4-yl) but-2-enedioate?
You can request a quote for 4-O-(3-methyl-2-phenylpentanoyl) 1-O-(1-methylpiperidin-4-yl) but-2-enedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-O-(3-methyl-2-phenylpentanoyl) 1-O-(1-methylpiperidin-4-yl) but-2-enedioate?
Yes, KEHONG BIO provides custom synthesis services for 4-O-(3-methyl-2-phenylpentanoyl) 1-O-(1-methylpiperidin-4-yl) but-2-enedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.