Hexahydro-1-nitroso-1H-azepin-3-ol
TL;DR: Hexahydro-1-nitroso-1H-azepin-3-ol (CAS 77428-18-3) is a chemical compound with molecular formula C6H12N2O2 and molecular weight 144.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitrosoazepan-3-ol
Also Known As: 1-nitrosoazepan-3-ol, Essaven gel, Hexahydro-1-nitroso-1H-azepin-3-ol, beta-Hydroxy-N-nitrosohexamethyleneimine, 1H-AZEPIN-3-OL, HEXAHYDRO-1-NITROSO-
| Molecular Formula | C6H12N2O2 |
|---|---|
| Molecular Weight | 144.09 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 144.08987 |
| Heavy Atoms | 10 |
| Complexity | 118.0 |
Chemical Identifiers
| CAS Number | 77428-18-3 |
|---|---|
| SMILES | C1CCN(CC(C1)O)N=O |
| InChIKey | AEEHNHHXHZWHGB-UHFFFAOYSA-N |
Product Overview
Hexahydro-1-nitroso-1H-azepin-3-ol (CAS 77428-18-3), with molecular formula C6H12N2O2 and molecular weight 144.09 g/mol. IUPAC: 1-nitrosoazepan-3-ol.
Chemical Property Profile of Hexahydro-1-nitroso-1H-azepin-3-ol
Property Insights of Hexahydro-1-nitroso-1H-azepin-3-ol
The XLogP value of -0.1 indicates that Hexahydro-1-nitroso-1H-azepin-3-ol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.9 Ų, Hexahydro-1-nitroso-1H-azepin-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexahydro-1-nitroso-1H-azepin-3-ol has 1 hydrogen bond donor(s) and 4 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 Hexahydro-1-nitroso-1H-azepin-3-ol?
The CAS number of Hexahydro-1-nitroso-1H-azepin-3-ol is 77428-18-3.
What is the molecular formula of Hexahydro-1-nitroso-1H-azepin-3-ol?
The molecular formula of Hexahydro-1-nitroso-1H-azepin-3-ol is C6H12N2O2.
What is the molecular weight of Hexahydro-1-nitroso-1H-azepin-3-ol?
The molecular weight of Hexahydro-1-nitroso-1H-azepin-3-ol is 144.09 g/mol.
Where can I buy Hexahydro-1-nitroso-1H-azepin-3-ol?
You can request a quote for Hexahydro-1-nitroso-1H-azepin-3-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexahydro-1-nitroso-1H-azepin-3-ol?
Yes, KEHONG BIO provides custom synthesis services for Hexahydro-1-nitroso-1H-azepin-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.