4-(羟基亚氨基)-4-苯基丁酸
TL;DR: 4-(羟基亚氨基)-4-苯基丁酸 (CAS 87252-81-1) is a chemical compound with molecular formula C10H11NO3 and molecular weight 193.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(羟基亚氨基)-4-苯基丁酸
4-hydroxyimino-4-phenylbutanoic acid
Also Known As: 3-Benzoyl propionic acid oxime, 4-Hydroximino-4-phenylbutyric acid, 4-(hydroxyimino)-4-phenylbutanoic acid, 4-hydroxyimino-4-phenylbutanoic acid, (4E)-4-(hydroxyimino)-4-phenylbutanoic acid
| Molecular Formula | C10H11NO3 |
|---|---|
| Molecular Weight | 193.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 193.0739 |
| Heavy Atoms | 14 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 87252-81-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=NO)CCC(=O)O |
| InChIKey | QEBFDSLTQPOGBG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(羟基亚氨基)-4-苯基丁酸 (CAS 87252-81-1), with molecular formula C10H11NO3 and molecular weight 193.07 g/mol. IUPAC: 4-hydroxyimino-4-phenylbutanoic acid.
Chemical Property Profile of 4-(羟基亚氨基)-4-苯基丁酸
Property Insights of 4-(羟基亚氨基)-4-苯基丁酸
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(羟基亚氨基)-4-苯基丁酸. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(羟基亚氨基)-4-苯基丁酸. Following Lipinski's Rule of Five, 4-(羟基亚氨基)-4-苯基丁酸 has 2 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-(羟基亚氨基)-4-苯基丁酸?
The CAS number of 4-(羟基亚氨基)-4-苯基丁酸 is 87252-81-1.
What is the molecular formula of 4-(羟基亚氨基)-4-苯基丁酸?
The molecular formula of 4-(羟基亚氨基)-4-苯基丁酸 is C10H11NO3.
What is the molecular weight of 4-(羟基亚氨基)-4-苯基丁酸?
The molecular weight of 4-(羟基亚氨基)-4-苯基丁酸 is 193.07 g/mol.
Where can I buy 4-(羟基亚氨基)-4-苯基丁酸?
You can request a quote for 4-(羟基亚氨基)-4-苯基丁酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(羟基亚氨基)-4-苯基丁酸?
Yes, KEHONG BIO provides custom synthesis services for 4-(羟基亚氨基)-4-苯基丁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.