Octanedioic acid, 1,8-bis(phenylmethyl) ester
TL;DR: Octanedioic acid, 1,8-bis(phenylmethyl) ester (CAS 42413-23-0) is a chemical compound with molecular formula C22H26O4 and molecular weight 354.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibenzyl octanedioate
Also Known As: Dibenzyl suberate, dibenzyl octanedioate, Octandisaeure-dibenzylester, Suberic acid dibenzyl ester, Octanedioic acid, bis(phenylmethyl) ester
| Molecular Formula | C22H26O4 |
|---|---|
| Molecular Weight | 354.18 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 354.1831 |
| Heavy Atoms | 26 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 42413-23-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)CCCCCCC(=O)OCC2=CC=CC=C2 |
| InChIKey | KWYCNDSIQMBOIS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octanedioic acid, 1,8-bis(phenylmethyl) ester (CAS 42413-23-0), with molecular formula C22H26O4 and molecular weight 354.18 g/mol. IUPAC: dibenzyl octanedioate.
Chemical Property Profile of Octanedioic acid, 1,8-bis(phenylmethyl) ester
Property Insights of Octanedioic acid, 1,8-bis(phenylmethyl) ester
The XLogP value of 4.7 indicates that Octanedioic acid, 1,8-bis(phenylmethyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Octanedioic acid, 1,8-bis(phenylmethyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octanedioic acid, 1,8-bis(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 Octanedioic acid, 1,8-bis(phenylmethyl) ester?
The CAS number of Octanedioic acid, 1,8-bis(phenylmethyl) ester is 42413-23-0.
What is the molecular formula of Octanedioic acid, 1,8-bis(phenylmethyl) ester?
The molecular formula of Octanedioic acid, 1,8-bis(phenylmethyl) ester is C22H26O4.
What is the molecular weight of Octanedioic acid, 1,8-bis(phenylmethyl) ester?
The molecular weight of Octanedioic acid, 1,8-bis(phenylmethyl) ester is 354.18 g/mol.
Where can I buy Octanedioic acid, 1,8-bis(phenylmethyl) ester?
You can request a quote for Octanedioic acid, 1,8-bis(phenylmethyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octanedioic acid, 1,8-bis(phenylmethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Octanedioic acid, 1,8-bis(phenylmethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.