Butanedioic acid, decyl phenylmethyl ester
TL;DR: Butanedioic acid, decyl phenylmethyl ester (CAS 119450-18-9) is a chemical compound with molecular formula C21H32O4 and molecular weight 348.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-benzyl 1-O-decyl butanedioate
Also Known As: Decyl benzyl succinate, Benzyl decyl butanedioate, Butanedioic acid, decyl phenylmethyl ester, 1-Benzyl 4-decyl succinate, 1-Benzyl 4-decyl succinate #
| Molecular Formula | C21H32O4 |
|---|---|
| Molecular Weight | 348.23 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Exact Mass | 348.23007 |
| Heavy Atoms | 25 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 119450-18-9 |
|---|---|
| SMILES | CCCCCCCCCCOC(=O)CCC(=O)OCC1=CC=CC=C1 |
| InChIKey | NMPJZUHKNJYKSJ-UHFFFAOYSA-N |
Product Overview
Butanedioic acid, decyl phenylmethyl ester (CAS 119450-18-9), with molecular formula C21H32O4 and molecular weight 348.23 g/mol. IUPAC: 4-O-benzyl 1-O-decyl butanedioate.
Chemical Property Profile of Butanedioic acid, decyl phenylmethyl ester
Property Insights of Butanedioic acid, decyl phenylmethyl ester
The XLogP value of 5.9 indicates that Butanedioic acid, decyl 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, Butanedioic acid, decyl phenylmethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanedioic acid, decyl phenylmethyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Butanedioic acid, decyl phenylmethyl ester?
The CAS number of Butanedioic acid, decyl phenylmethyl ester is 119450-18-9.
What is the molecular formula of Butanedioic acid, decyl phenylmethyl ester?
The molecular formula of Butanedioic acid, decyl phenylmethyl ester is C21H32O4.
What is the molecular weight of Butanedioic acid, decyl phenylmethyl ester?
The molecular weight of Butanedioic acid, decyl phenylmethyl ester is 348.23 g/mol.
Where can I buy Butanedioic acid, decyl phenylmethyl ester?
You can request a quote for Butanedioic acid, decyl 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, decyl phenylmethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanedioic acid, decyl phenylmethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.