4-Phthalimidobutyl benzoate
TL;DR: 4-Phthalimidobutyl benzoate (CAS 102022-69-5) is a chemical compound with molecular formula C19H17NO4 and molecular weight 323.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-dioxoisoindol-2-yl)butyl benzoate
Also Known As: 4-PHTHALIMIDOBUTYL BENZOATE, N-[4-(Benzoyloxy)butyl]phthalimide, 4-(1,3-Dioxoisoindolin-2-yl)butyl benzoate, 4-(1,3-dioxoisoindol-2-yl)butyl Benzoate, 4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butyl benzoate
| Molecular Formula | C19H17NO4 |
|---|---|
| Molecular Weight | 323.12 g/mol |
| LogP | 2.9198 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 323.11575 |
| Heavy Atoms | 24 |
| Complexity | 734.94604 |
Chemical Identifiers
| CAS Number | 102022-69-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O |
Product Overview
4-Phthalimidobutyl benzoate (CAS 102022-69-5), with molecular formula C19H17NO4 and molecular weight 323.12 g/mol. IUPAC: 4-(1,3-dioxoisoindol-2-yl)butyl benzoate.
Chemical Property Profile of 4-Phthalimidobutyl benzoate
Property Insights of 4-Phthalimidobutyl benzoate
The XLogP value of 2.9198 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Phthalimidobutyl benzoate. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Phthalimidobutyl benzoate. Following Lipinski's Rule of Five, 4-Phthalimidobutyl benzoate 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 4-Phthalimidobutyl benzoate?
The CAS number of 4-Phthalimidobutyl benzoate is 102022-69-5.
What is the molecular formula of 4-Phthalimidobutyl benzoate?
The molecular formula of 4-Phthalimidobutyl benzoate is C19H17NO4.
What is the molecular weight of 4-Phthalimidobutyl benzoate?
The molecular weight of 4-Phthalimidobutyl benzoate is 323.12 g/mol.
Where can I buy 4-Phthalimidobutyl benzoate?
You can request a quote for 4-Phthalimidobutyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Phthalimidobutyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Phthalimidobutyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.