4-甲基-4-硝基戊酸
TL;DR: 4-甲基-4-硝基戊酸 (CAS 32827-16-0) is a chemical compound with molecular formula C6H11NO4 and molecular weight 161.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-甲基-4-硝基戊酸
4-methyl-4-nitropentanoic acid
Also Known As: 4-METHYL-4-NITROPENTANOIC ACID, 4-methyl-4-nitro-pentanoic acid, 4-methyl-4-nitro-valeraldehyde, 4-methyl-4-nitro pentanoic acid, Pentanoic acid, 4-methyl-4-nitro-
| Molecular Formula | C6H11NO4 |
|---|---|
| Molecular Weight | 161.07 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 161.0688 |
| Heavy Atoms | 11 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 32827-16-0 |
|---|---|
| SMILES | CC(C)(CCC(=O)O)[N+](=O)[O-] |
| InChIKey | KHKJLJHJTQRHSA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-甲基-4-硝基戊酸 (CAS 32827-16-0), with molecular formula C6H11NO4 and molecular weight 161.07 g/mol. IUPAC: 4-methyl-4-nitropentanoic acid.
Chemical Property Profile of 4-甲基-4-硝基戊酸
Property Insights of 4-甲基-4-硝基戊酸
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-甲基-4-硝基戊酸. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-甲基-4-硝基戊酸. Following Lipinski's Rule of Five, 4-甲基-4-硝基戊酸 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 4-甲基-4-硝基戊酸?
The CAS number of 4-甲基-4-硝基戊酸 is 32827-16-0.
What is the molecular formula of 4-甲基-4-硝基戊酸?
The molecular formula of 4-甲基-4-硝基戊酸 is C6H11NO4.
What is the molecular weight of 4-甲基-4-硝基戊酸?
The molecular weight of 4-甲基-4-硝基戊酸 is 161.07 g/mol.
Where can I buy 4-甲基-4-硝基戊酸?
You can request a quote for 4-甲基-4-硝基戊酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-甲基-4-硝基戊酸?
Yes, KEHONG BIO provides custom synthesis services for 4-甲基-4-硝基戊酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.