丁酸异戊酯
TL;DR: 丁酸异戊酯 (CAS 12624-08-7) is a chemical compound with molecular formula C12H15NO7 and molecular weight 285.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁酸异戊酯
(2R,3R,4S,5R,6S)-2-methyl-6-(2-nitrophenoxy)oxane-3,4,5-triol
Also Known As: onpf, 2-Nitrophenyl beta-D-fucopyranoside, ONP-b-D-Fuc, 2-Nitrophenyl-beta-fucoside, ORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDE
| Molecular Formula | C12H15NO7 |
|---|---|
| Molecular Weight | 285.08 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 285.08484 |
| Heavy Atoms | 20 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 12624-08-7 |
|---|---|
| SMILES | C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC2=CC=CC=C2[N+](=O)[O-])O)O)O |
| InChIKey | SWRPIVXPHLYETN-BVWHHUJWSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丁酸异戊酯 (CAS 12624-08-7), with molecular formula C12H15NO7 and molecular weight 285.08 g/mol. IUPAC: (2R,3R,4S,5R,6S)-2-methyl-6-(2-nitrophenoxy)oxane-3,4,5-triol.
Chemical Property Profile of 丁酸异戊酯
Property Insights of 丁酸异戊酯
The XLogP value of -0.7 indicates that 丁酸异戊酯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 丁酸异戊酯. Following Lipinski's Rule of Five, 丁酸异戊酯 has 3 hydrogen bond donor(s) and 7 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 丁酸异戊酯?
The CAS number of 丁酸异戊酯 is 12624-08-7.
What is the molecular formula of 丁酸异戊酯?
The molecular formula of 丁酸异戊酯 is C12H15NO7.
What is the molecular weight of 丁酸异戊酯?
The molecular weight of 丁酸异戊酯 is 285.08 g/mol.
Where can I buy 丁酸异戊酯?
You can request a quote for 丁酸异戊酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁酸异戊酯?
Yes, KEHONG BIO provides custom synthesis services for 丁酸异戊酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.