Methyl 3-methyl-3-nitrosobutanoate
TL;DR: Methyl 3-methyl-3-nitrosobutanoate (CAS 49680-44-6) is a chemical compound with molecular formula C6H11NO3 and molecular weight 145.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-methyl-3-nitrosobutanoate
Also Known As: Methyl 3-methyl-3-nitrosobutanoate, Methyl 3-methyl-3-nitrosobutanoate #, 3-nitroso-3-methylbutanoic acid methyl ester, 3-Methyl-3-nitrosobutanoic acid methyl ester, 3-methyl-3-nitroso-butyric acid methyl ester
| Molecular Formula | C6H11NO3 |
|---|---|
| Molecular Weight | 145.07 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 55.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 145.0739 |
| Heavy Atoms | 10 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 49680-44-6 |
|---|---|
| SMILES | CC(C)(CC(=O)OC)N=O |
| InChIKey | LQQRIFSFLSDMIW-UHFFFAOYSA-N |
Product Overview
Methyl 3-methyl-3-nitrosobutanoate (CAS 49680-44-6), with molecular formula C6H11NO3 and molecular weight 145.07 g/mol. IUPAC: methyl 3-methyl-3-nitrosobutanoate.
Chemical Property Profile of Methyl 3-methyl-3-nitrosobutanoate
Property Insights of Methyl 3-methyl-3-nitrosobutanoate
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-methyl-3-nitrosobutanoate. With a topological polar surface area (TPSA) of 55.7 Ų, Methyl 3-methyl-3-nitrosobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-methyl-3-nitrosobutanoate has 0 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 Methyl 3-methyl-3-nitrosobutanoate?
The CAS number of Methyl 3-methyl-3-nitrosobutanoate is 49680-44-6.
What is the molecular formula of Methyl 3-methyl-3-nitrosobutanoate?
The molecular formula of Methyl 3-methyl-3-nitrosobutanoate is C6H11NO3.
What is the molecular weight of Methyl 3-methyl-3-nitrosobutanoate?
The molecular weight of Methyl 3-methyl-3-nitrosobutanoate is 145.07 g/mol.
Where can I buy Methyl 3-methyl-3-nitrosobutanoate?
You can request a quote for Methyl 3-methyl-3-nitrosobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-methyl-3-nitrosobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-methyl-3-nitrosobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.