Butanoic acid, 4-((aminocarbonyl)nitrosoamino)-, methyl ester
TL;DR: Butanoic acid, 4-((aminocarbonyl)nitrosoamino)-, methyl ester (CAS 108278-75-7) is a chemical compound with molecular formula C6H11N3O4 and molecular weight 189.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[carbamoyl(nitroso)amino]butanoate
Also Known As: N-Methoxycarbonylpropyl-N-nitrosourea, N-(3-Methoxycarbonylpropyl)-N-nitrosourea, methyl 4-[carbamoyl(nitroso)amino]butanoate, Methyl 4-(1-nitrosoureido)butanoate, Butanoic acid, 4-((aminocarbonyl)nitrosoamino)-, methyl ester
| Molecular Formula | C6H11N3O4 |
|---|---|
| Molecular Weight | 189.07 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 189.07495 |
| Heavy Atoms | 13 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 108278-75-7 |
|---|---|
| SMILES | COC(=O)CCCN(C(=O)N)N=O |
| InChIKey | LCBVCFCOFOYUDV-UHFFFAOYSA-N |
Product Overview
Butanoic acid, 4-((aminocarbonyl)nitrosoamino)-, methyl ester (CAS 108278-75-7), with molecular formula C6H11N3O4 and molecular weight 189.07 g/mol. IUPAC: methyl 4-[carbamoyl(nitroso)amino]butanoate.
Chemical Property Profile of Butanoic acid, 4-((aminocarbonyl)nitrosoamino)-, methyl ester
Property Insights of Butanoic acid, 4-((aminocarbonyl)nitrosoamino)-, methyl ester
The XLogP value of -0.4 indicates that Butanoic acid, 4-((aminocarbonyl)nitrosoamino)-, methyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanoic acid, 4-((aminocarbonyl)nitrosoamino)-, methyl ester. Following Lipinski's Rule of Five, Butanoic acid, 4-((aminocarbonyl)nitrosoamino)-, methyl ester 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 Butanoic acid, 4-((aminocarbonyl)nitrosoamino)-, methyl ester?
The CAS number of Butanoic acid, 4-((aminocarbonyl)nitrosoamino)-, methyl ester is 108278-75-7.
What is the molecular formula of Butanoic acid, 4-((aminocarbonyl)nitrosoamino)-, methyl ester?
The molecular formula of Butanoic acid, 4-((aminocarbonyl)nitrosoamino)-, methyl ester is C6H11N3O4.
What is the molecular weight of Butanoic acid, 4-((aminocarbonyl)nitrosoamino)-, methyl ester?
The molecular weight of Butanoic acid, 4-((aminocarbonyl)nitrosoamino)-, methyl ester is 189.07 g/mol.
Where can I buy Butanoic acid, 4-((aminocarbonyl)nitrosoamino)-, methyl ester?
You can request a quote for Butanoic acid, 4-((aminocarbonyl)nitrosoamino)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 4-((aminocarbonyl)nitrosoamino)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 4-((aminocarbonyl)nitrosoamino)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.