Butanoic acid, 4-((4-hydroxybutyl)nitrosoamino)-, methyl ester
TL;DR: Butanoic acid, 4-((4-hydroxybutyl)nitrosoamino)-, methyl ester (CAS 79448-04-7) 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-[4-hydroxybutyl(nitroso)amino]butanoate
Also Known As: methyl 4-[4-hydroxybutyl(nitroso)amino]butanoate, Butanoic acid, 4-((4-hydroxybutyl)nitrosoamino)-, methyl ester, Methyl 4-(4-hydroxybutyl-nitroso-amino)butanoate, methyl 4-[(4-hydroxybutyl)(nitroso)amino]butanoate, Butanoic acid,4-[(4-hydroxybutyl)nitrosoamino]-, methyl ester
| Molecular Formula | C9H18N2O4 |
|---|---|
| Molecular Weight | 218.13 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 79.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 218.12666 |
| Heavy Atoms | 15 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 79448-04-7 |
|---|---|
| SMILES | COC(=O)CCCN(CCCCO)N=O |
| InChIKey | WFMJCEHMEOYUIC-UHFFFAOYSA-N |
Product Overview
Butanoic acid, 4-((4-hydroxybutyl)nitrosoamino)-, methyl ester (CAS 79448-04-7), with molecular formula C9H18N2O4 and molecular weight 218.13 g/mol. IUPAC: methyl 4-[4-hydroxybutyl(nitroso)amino]butanoate.
Chemical Property Profile of Butanoic acid, 4-((4-hydroxybutyl)nitrosoamino)-, methyl ester
Property Insights of Butanoic acid, 4-((4-hydroxybutyl)nitrosoamino)-, methyl ester
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanoic acid, 4-((4-hydroxybutyl)nitrosoamino)-, methyl ester. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanoic acid, 4-((4-hydroxybutyl)nitrosoamino)-, methyl ester. Following Lipinski's Rule of Five, Butanoic acid, 4-((4-hydroxybutyl)nitrosoamino)-, methyl ester has 1 hydrogen bond donor(s) and 6 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-((4-hydroxybutyl)nitrosoamino)-, methyl ester?
The CAS number of Butanoic acid, 4-((4-hydroxybutyl)nitrosoamino)-, methyl ester is 79448-04-7.
What is the molecular formula of Butanoic acid, 4-((4-hydroxybutyl)nitrosoamino)-, methyl ester?
The molecular formula of Butanoic acid, 4-((4-hydroxybutyl)nitrosoamino)-, methyl ester is C9H18N2O4.
What is the molecular weight of Butanoic acid, 4-((4-hydroxybutyl)nitrosoamino)-, methyl ester?
The molecular weight of Butanoic acid, 4-((4-hydroxybutyl)nitrosoamino)-, methyl ester is 218.13 g/mol.
Where can I buy Butanoic acid, 4-((4-hydroxybutyl)nitrosoamino)-, methyl ester?
You can request a quote for Butanoic acid, 4-((4-hydroxybutyl)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-((4-hydroxybutyl)nitrosoamino)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 4-((4-hydroxybutyl)nitrosoamino)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.