δ-氧代苯戊酸
TL;DR: δ-氧代苯戊酸 (CAS 1501-05-9) is a chemical compound with molecular formula C11H12O3 and molecular weight 192.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
δ-氧代苯戊酸
5-oxo-5-phenylpentanoic acid
Also Known As: 4-Benzoylbutyric acid, 5-Oxo-5-phenylpentanoic acid, 5-Oxo-5-phenylvaleric acid, 4-benzoylbutyrate, 4-benzoylbutanoic acid
| Molecular Formula | C11H12O3 |
|---|---|
| Molecular Weight | 192.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 192.07864 |
| Heavy Atoms | 14 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 1501-05-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CCCC(=O)O |
| InChIKey | SHKWSBAVRQZYLE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
δ-氧代苯戊酸 (CAS 1501-05-9), with molecular formula C11H12O3 and molecular weight 192.08 g/mol. IUPAC: 5-oxo-5-phenylpentanoic acid.
Chemical Property Profile of δ-氧代苯戊酸
Property Insights of δ-氧代苯戊酸
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for δ-氧代苯戊酸. With a topological polar surface area (TPSA) of 54.4 Ų, δ-氧代苯戊酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, δ-氧代苯戊酸 has 1 hydrogen bond donor(s) and 3 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 δ-氧代苯戊酸?
The CAS number of δ-氧代苯戊酸 is 1501-05-9.
What is the molecular formula of δ-氧代苯戊酸?
The molecular formula of δ-氧代苯戊酸 is C11H12O3.
What is the molecular weight of δ-氧代苯戊酸?
The molecular weight of δ-氧代苯戊酸 is 192.08 g/mol.
Where can I buy δ-氧代苯戊酸?
You can request a quote for δ-氧代苯戊酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for δ-氧代苯戊酸?
Yes, KEHONG BIO provides custom synthesis services for δ-氧代苯戊酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.