1-(1-Phenylpentyl) butanedioate
TL;DR: 1-(1-Phenylpentyl) butanedioate (CAS 135-36-4) 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.
4-oxo-4-(1-phenylpentoxy)butanoic acid
Also Known As: (1-Phenylpentyl) hydrogen succinate, 4-oxo-4-(1-phenylpentoxy)butanoic acid, alpha-Butylbenzyl ester of succinic acid, Succinic acid, alpha-butylbenzyl ester, 1-(1-Phenylpentyl) butanedioate
| Molecular Formula | C15H20O4 |
|---|---|
| Molecular Weight | 264.14 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 264.13617 |
| Heavy Atoms | 19 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 135-36-4 |
|---|---|
| SMILES | CCCCC(C1=CC=CC=C1)OC(=O)CCC(=O)O |
| InChIKey | NIACDRXJTWKKRD-UHFFFAOYSA-N |
Product Overview
1-(1-Phenylpentyl) butanedioate (CAS 135-36-4), with molecular formula C15H20O4 and molecular weight 264.14 g/mol. IUPAC: 4-oxo-4-(1-phenylpentoxy)butanoic acid.
Chemical Property Profile of 1-(1-Phenylpentyl) butanedioate
Property Insights of 1-(1-Phenylpentyl) butanedioate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-Phenylpentyl) butanedioate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1-Phenylpentyl) butanedioate. Following Lipinski's Rule of Five, 1-(1-Phenylpentyl) butanedioate has 1 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 1-(1-Phenylpentyl) butanedioate?
The CAS number of 1-(1-Phenylpentyl) butanedioate is 135-36-4.
What is the molecular formula of 1-(1-Phenylpentyl) butanedioate?
The molecular formula of 1-(1-Phenylpentyl) butanedioate is C15H20O4.
What is the molecular weight of 1-(1-Phenylpentyl) butanedioate?
The molecular weight of 1-(1-Phenylpentyl) butanedioate is 264.14 g/mol.
Where can I buy 1-(1-Phenylpentyl) butanedioate?
You can request a quote for 1-(1-Phenylpentyl) butanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-Phenylpentyl) butanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Phenylpentyl) butanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.