Butanedioic acid, 1-(2-methylpropyl) 4-(phenylmethyl) ester
TL;DR: Butanedioic acid, 1-(2-methylpropyl) 4-(phenylmethyl) ester (CAS 71463-83-7) is a chemical compound with molecular formula C15H20O4 and molecular weight 264.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-benzyl 4-O-(2-methylpropyl) butanedioate
Also Known As: Isobutyl benzyl succinate, 26-Aminocholesterol, Benzyl 2-methylpropyl butanedioate, Butanedioic acid, 2-methylpropyl phenylmethyl ester, 1-O-benzyl 4-O-(2-methylpropyl) butanedioate
| Molecular Formula | C15H20O4 |
|---|---|
| Molecular Weight | 264.14 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 264.13617 |
| Heavy Atoms | 19 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 71463-83-7 |
|---|---|
| SMILES | CC(C)COC(=O)CCC(=O)OCC1=CC=CC=C1 |
| InChIKey | WKGBHCFKVMNRQO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanedioic acid, 1-(2-methylpropyl) 4-(phenylmethyl) ester (CAS 71463-83-7), with molecular formula C15H20O4 and molecular weight 264.14 g/mol. IUPAC: 1-O-benzyl 4-O-(2-methylpropyl) butanedioate.
Chemical Property Profile of Butanedioic acid, 1-(2-methylpropyl) 4-(phenylmethyl) ester
Property Insights of Butanedioic acid, 1-(2-methylpropyl) 4-(phenylmethyl) ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanedioic acid, 1-(2-methylpropyl) 4-(phenylmethyl) ester. With a topological polar surface area (TPSA) of 52.6 Ų, Butanedioic acid, 1-(2-methylpropyl) 4-(phenylmethyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanedioic acid, 1-(2-methylpropyl) 4-(phenylmethyl) ester has 0 hydrogen bond donor(s) and 4 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 Butanedioic acid, 1-(2-methylpropyl) 4-(phenylmethyl) ester?
The CAS number of Butanedioic acid, 1-(2-methylpropyl) 4-(phenylmethyl) ester is 71463-83-7.
What is the molecular formula of Butanedioic acid, 1-(2-methylpropyl) 4-(phenylmethyl) ester?
The molecular formula of Butanedioic acid, 1-(2-methylpropyl) 4-(phenylmethyl) ester is C15H20O4.
What is the molecular weight of Butanedioic acid, 1-(2-methylpropyl) 4-(phenylmethyl) ester?
The molecular weight of Butanedioic acid, 1-(2-methylpropyl) 4-(phenylmethyl) ester is 264.14 g/mol.
Where can I buy Butanedioic acid, 1-(2-methylpropyl) 4-(phenylmethyl) ester?
You can request a quote for Butanedioic acid, 1-(2-methylpropyl) 4-(phenylmethyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanedioic acid, 1-(2-methylpropyl) 4-(phenylmethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Butanedioic acid, 1-(2-methylpropyl) 4-(phenylmethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.