N-Nitrosobutyl-N-(4-hydroxybutyl)amine glucuronide
TL;DR: N-Nitrosobutyl-N-(4-hydroxybutyl)amine glucuronide (CAS 83732-96-1) is a chemical compound with molecular formula C14H26N2O8 and molecular weight 350.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6R)-6-[4-[butyl(nitroso)amino]butoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Nbhba-4-G, N-nitrosobutyl-N- amineglucuronide, N-Nitrosobutyl-N-(4-hydroxybutyl)amine glucuronide, (2S,3S,4S,5R,6R)-6-[4-[butyl(nitroso)amino]butoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid, 4-[butyl(nitroso)amino]butyl
| Molecular Formula | C14H26N2O8 |
|---|---|
| Molecular Weight | 350.17 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 350.1689 |
| Heavy Atoms | 24 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 83732-96-1 |
|---|---|
| SMILES | CCCCN(CCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)N=O |
| InChIKey | VVDUKXBGFTUMPJ-BYNIDDHOSA-N |
Product Overview
N-Nitrosobutyl-N-(4-hydroxybutyl)amine glucuronide (CAS 83732-96-1), with molecular formula C14H26N2O8 and molecular weight 350.17 g/mol. IUPAC: (2S,3S,4S,5R,6R)-6-[4-[butyl(nitroso)amino]butoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of N-Nitrosobutyl-N-(4-hydroxybutyl)amine glucuronide
Property Insights of N-Nitrosobutyl-N-(4-hydroxybutyl)amine glucuronide
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Nitrosobutyl-N-(4-hydroxybutyl)amine glucuronide. The TPSA of 149.0 Ų indicates high polarity, suggesting N-Nitrosobutyl-N-(4-hydroxybutyl)amine glucuronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Nitrosobutyl-N-(4-hydroxybutyl)amine glucuronide has 4 hydrogen bond donor(s) and 10 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 N-Nitrosobutyl-N-(4-hydroxybutyl)amine glucuronide?
The CAS number of N-Nitrosobutyl-N-(4-hydroxybutyl)amine glucuronide is 83732-96-1.
What is the molecular formula of N-Nitrosobutyl-N-(4-hydroxybutyl)amine glucuronide?
The molecular formula of N-Nitrosobutyl-N-(4-hydroxybutyl)amine glucuronide is C14H26N2O8.
What is the molecular weight of N-Nitrosobutyl-N-(4-hydroxybutyl)amine glucuronide?
The molecular weight of N-Nitrosobutyl-N-(4-hydroxybutyl)amine glucuronide is 350.17 g/mol.
Where can I buy N-Nitrosobutyl-N-(4-hydroxybutyl)amine glucuronide?
You can request a quote for N-Nitrosobutyl-N-(4-hydroxybutyl)amine glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Nitrosobutyl-N-(4-hydroxybutyl)amine glucuronide?
Yes, KEHONG BIO provides custom synthesis services for N-Nitrosobutyl-N-(4-hydroxybutyl)amine glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.