Butyric acid, 4-((4-hydroxybutyl)nitrosamino)-, methyl ester, acetate
TL;DR: Butyric acid, 4-((4-hydroxybutyl)nitrosamino)-, methyl ester, acetate (CAS 100700-29-6) is a chemical compound with molecular formula C11H20N2O5 and molecular weight 260.1372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-[4-acetyloxybutyl(nitroso)amino]butanoate
Also Known As: Cmpabn, Mcpabn, methyl 4-[4-acetyloxybutyl(nitroso)amino]butanoate, methyl 4-{[4-(acetyloxy)butyl](nitroso)amino}butanoate, N-(3-Carbomethoxypropyl)-N-(1-acetoxybutyl)nitrosamine
Technical Specifications
| Molecular Formula | C11H20N2O5 |
| Molecular Weight | 260.1372 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 85.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 260.1372 Da |
| Heavy Atoms | 18 |
| Complexity | 270.0 |
| SMILES | CC(=O)OCCCCN(CCCC(=O)OC)N=O |
| InChIKey | PWJITWBMAVAXBG-UHFFFAOYSA-N |
Chemical Property Profile of Butyric acid, 4-((4-hydroxybutyl)nitrosamino)-, methyl ester, acetate
Property Insights of Butyric acid, 4-((4-hydroxybutyl)nitrosamino)-, methyl ester, acetate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyric acid, 4-((4-hydroxybutyl)nitrosamino)-, methyl ester, acetate. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyric acid, 4-((4-hydroxybutyl)nitrosamino)-, methyl ester, acetate. Following Lipinski's Rule of Five, Butyric acid, 4-((4-hydroxybutyl)nitrosamino)-, methyl ester, acetate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Butyric acid, 4-((4-hydroxybutyl)nitrosamino)-, methyl ester, acetate?
The CAS number of Butyric acid, 4-((4-hydroxybutyl)nitrosamino)-, methyl ester, acetate is 100700-29-6.
What is the molecular formula of Butyric acid, 4-((4-hydroxybutyl)nitrosamino)-, methyl ester, acetate?
The molecular formula of Butyric acid, 4-((4-hydroxybutyl)nitrosamino)-, methyl ester, acetate is C11H20N2O5.
What is the molecular weight of Butyric acid, 4-((4-hydroxybutyl)nitrosamino)-, methyl ester, acetate?
The molecular weight of Butyric acid, 4-((4-hydroxybutyl)nitrosamino)-, methyl ester, acetate is 260.1372 g/mol.
Where can I buy Butyric acid, 4-((4-hydroxybutyl)nitrosamino)-, methyl ester, acetate?
You can request a quote for Butyric acid, 4-((4-hydroxybutyl)nitrosamino)-, methyl ester, acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butyric acid, 4-((4-hydroxybutyl)nitrosamino)-, methyl ester, acetate?
Yes, CoreyChem provides custom synthesis services for Butyric acid, 4-((4-hydroxybutyl)nitrosamino)-, methyl ester, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.