Methyl 4-(butylnitrosoamino)-3-hydroxybutanoate
TL;DR: Methyl 4-(butylnitrosoamino)-3-hydroxybutanoate (CAS 51938-20-6) is a chemical compound with molecular formula C9H18N2O4 and molecular weight 218.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[butyl(nitroso)amino]-3-hydroxybutanoate
Also Known As: Methyl 4-(butylnitrosoamino)-3-hydroxybutanoate, methyl 4-[butyl(nitroso)amino]-3-hydroxybutanoate, Butanoic acid, 4-(butylnitrosoamino)-3-hydroxy-, methyl ester, methyl 4-(butyl(nitroso)amino)-3-hydroxybutanoate
| Molecular Formula | C9H18N2O4 |
|---|---|
| Molecular Weight | 218.13 g/mol |
| LogP | 0.6939 |
| Topological Polar Surface Area | 79.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 218.12666 |
| Heavy Atoms | 15 |
| Complexity | 198.55136 |
Chemical Identifiers
| CAS Number | 51938-20-6 |
|---|---|
| SMILES | CCCCN(CC(CC(=O)OC)O)N=O |
Product Overview
Methyl 4-(butylnitrosoamino)-3-hydroxybutanoate (CAS 51938-20-6), with molecular formula C9H18N2O4 and molecular weight 218.13 g/mol. IUPAC: methyl 4-[butyl(nitroso)amino]-3-hydroxybutanoate.
Chemical Property Profile of Methyl 4-(butylnitrosoamino)-3-hydroxybutanoate
Property Insights of Methyl 4-(butylnitrosoamino)-3-hydroxybutanoate
The XLogP value of 0.6939 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(butylnitrosoamino)-3-hydroxybutanoate. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(butylnitrosoamino)-3-hydroxybutanoate. Following Lipinski's Rule of Five, Methyl 4-(butylnitrosoamino)-3-hydroxybutanoate has 1 hydrogen bond donor(s) and 5 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 4-(butylnitrosoamino)-3-hydroxybutanoate?
The CAS number of Methyl 4-(butylnitrosoamino)-3-hydroxybutanoate is 51938-20-6.
What is the molecular formula of Methyl 4-(butylnitrosoamino)-3-hydroxybutanoate?
The molecular formula of Methyl 4-(butylnitrosoamino)-3-hydroxybutanoate is C9H18N2O4.
What is the molecular weight of Methyl 4-(butylnitrosoamino)-3-hydroxybutanoate?
The molecular weight of Methyl 4-(butylnitrosoamino)-3-hydroxybutanoate is 218.13 g/mol.
Where can I buy Methyl 4-(butylnitrosoamino)-3-hydroxybutanoate?
You can request a quote for Methyl 4-(butylnitrosoamino)-3-hydroxybutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(butylnitrosoamino)-3-hydroxybutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(butylnitrosoamino)-3-hydroxybutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.