Butanedioic acid, pentyl phenylmethyl ester
TL;DR: Butanedioic acid, pentyl phenylmethyl ester (CAS 119450-13-4) is a chemical compound with molecular formula C16H22O4 and molecular weight 278.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-benzyl 1-O-pentyl butanedioate
Also Known As: Pentyl benzyl succinate, Benzyl pentyl butanedioate, 1-Benzyl 4-pentyl succinate, Butanedioic acid, pentyl phenylmethyl ester, 1-Benzyl 4-pentyl succinate #
| Molecular Formula | C16H22O4 |
|---|---|
| Molecular Weight | 278.15 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 278.1518 |
| Heavy Atoms | 20 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 119450-13-4 |
|---|---|
| SMILES | CCCCCOC(=O)CCC(=O)OCC1=CC=CC=C1 |
| InChIKey | GVUYTZKKCMNYGB-UHFFFAOYSA-N |
Product Overview
Butanedioic acid, pentyl phenylmethyl ester (CAS 119450-13-4), with molecular formula C16H22O4 and molecular weight 278.15 g/mol. IUPAC: 4-O-benzyl 1-O-pentyl butanedioate.
Chemical Property Profile of Butanedioic acid, pentyl phenylmethyl ester
Property Insights of Butanedioic acid, pentyl phenylmethyl ester
The XLogP value of 3.2 indicates that Butanedioic acid, pentyl 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, pentyl phenylmethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanedioic acid, pentyl 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, pentyl phenylmethyl ester?
The CAS number of Butanedioic acid, pentyl phenylmethyl ester is 119450-13-4.
What is the molecular formula of Butanedioic acid, pentyl phenylmethyl ester?
The molecular formula of Butanedioic acid, pentyl phenylmethyl ester is C16H22O4.
What is the molecular weight of Butanedioic acid, pentyl phenylmethyl ester?
The molecular weight of Butanedioic acid, pentyl phenylmethyl ester is 278.15 g/mol.
Where can I buy Butanedioic acid, pentyl phenylmethyl ester?
You can request a quote for Butanedioic acid, pentyl 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, pentyl phenylmethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanedioic acid, pentyl phenylmethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.