Methyl 4-(butylnitrosoamino)butanoate
TL;DR: Methyl 4-(butylnitrosoamino)butanoate (CAS 74058-77-8) is a chemical compound with molecular formula CCCCN(CCCC(=O)OC)N=O and molecular weight 202.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[butyl(nitroso)amino]butanoate
Also Known As: Methyl 4-(butylnitrosoamino)butanoate, methyl 4-[butyl(nitroso)amino]butanoate, Butanoic acid, 4-(butylnitrosoamino)-, methyl ester
| Molecular Formula | CCCCN(CCCC(=O)OC)N=O |
|---|---|
| Molecular Weight | 202.13 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 202.13174 |
| Heavy Atoms | 14 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 74058-77-8 |
|---|---|
| SMILES | CCCCN(CCCC(=O)OC)N=O |
| InChIKey | CWNGXHDLMAPSMH-UHFFFAOYSA-N |
Product Overview
Methyl 4-(butylnitrosoamino)butanoate (CAS 74058-77-8), with molecular formula CCCCN(CCCC(=O)OC)N=O and molecular weight 202.13 g/mol. IUPAC: methyl 4-[butyl(nitroso)amino]butanoate.
Chemical Property Profile of Methyl 4-(butylnitrosoamino)butanoate
Property Insights of Methyl 4-(butylnitrosoamino)butanoate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(butylnitrosoamino)butanoate. With a topological polar surface area (TPSA) of 59.0 Ų, Methyl 4-(butylnitrosoamino)butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(butylnitrosoamino)butanoate has 0 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)butanoate?
The CAS number of Methyl 4-(butylnitrosoamino)butanoate is 74058-77-8.
What is the molecular formula of Methyl 4-(butylnitrosoamino)butanoate?
The molecular formula of Methyl 4-(butylnitrosoamino)butanoate is CCCCN(CCCC(=O)OC)N=O.
What is the molecular weight of Methyl 4-(butylnitrosoamino)butanoate?
The molecular weight of Methyl 4-(butylnitrosoamino)butanoate is 202.13 g/mol.
Where can I buy Methyl 4-(butylnitrosoamino)butanoate?
You can request a quote for Methyl 4-(butylnitrosoamino)butanoate 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)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(butylnitrosoamino)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.