3-Methyl-4-nitrobutanoyl chloride
TL;DR: 3-Methyl-4-nitrobutanoyl chloride (CAS 162935-41-3) is a chemical compound with molecular formula C5H8ClNO3 and molecular weight 165.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4-nitrobutanoyl chloride
Also Known As: 3-methyl-4-nitrobutanoyl chloride, Butanoyl chloride, 3-methyl-4-nitro-, 3-methyl-4-nitro-butanoyl Chloride, 3-METHYL-4-NITRO-BUTYRYL CHLORIDE
| Molecular Formula | C5H8ClNO3 |
|---|---|
| Molecular Weight | 165.02 g/mol |
| LogP | 1.0547 |
| Topological Polar Surface Area | 60.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 165.01927 |
| Heavy Atoms | 10 |
| Complexity | 131.82849 |
Chemical Identifiers
| CAS Number | 162935-41-3 |
|---|---|
| SMILES | CC(CC(=O)Cl)C[N+](=O)[O-] |
Product Overview
3-Methyl-4-nitrobutanoyl chloride (CAS 162935-41-3), with molecular formula C5H8ClNO3 and molecular weight 165.02 g/mol. IUPAC: 3-methyl-4-nitrobutanoyl chloride.
Chemical Property Profile of 3-Methyl-4-nitrobutanoyl chloride
Property Insights of 3-Methyl-4-nitrobutanoyl chloride
The XLogP value of 1.0547 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-4-nitrobutanoyl chloride. The TPSA of 60.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-4-nitrobutanoyl chloride. Following Lipinski's Rule of Five, 3-Methyl-4-nitrobutanoyl chloride has 0 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 3-Methyl-4-nitrobutanoyl chloride?
The CAS number of 3-Methyl-4-nitrobutanoyl chloride is 162935-41-3.
What is the molecular formula of 3-Methyl-4-nitrobutanoyl chloride?
The molecular formula of 3-Methyl-4-nitrobutanoyl chloride is C5H8ClNO3.
What is the molecular weight of 3-Methyl-4-nitrobutanoyl chloride?
The molecular weight of 3-Methyl-4-nitrobutanoyl chloride is 165.02 g/mol.
Where can I buy 3-Methyl-4-nitrobutanoyl chloride?
You can request a quote for 3-Methyl-4-nitrobutanoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-4-nitrobutanoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-4-nitrobutanoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.