2H-Azepin-2-one, 3-aminohexahydro-
TL;DR: 2H-Azepin-2-one, 3-aminohexahydro- (CAS 671-42-1) is a chemical compound with molecular formula C6H12N2O and molecular weight 128.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-aminoazepan-2-one
Also Known As: 3-aminoazepan-2-one, 3-Amino-2-azepanone, (r)-3-aminoazepan-2-one, 3-Aminohexahydro-2H-azepin-2-one, DL aminocaprolactam
| Molecular Formula | C6H12N2O |
|---|---|
| Molecular Weight | 128.09 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 128.09496 |
| Heavy Atoms | 9 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 671-42-1 |
|---|---|
| SMILES | C1CCNC(=O)C(C1)N |
| InChIKey | BOWUOGIPSRVRSJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2H-Azepin-2-one, 3-aminohexahydro- (CAS 671-42-1), with molecular formula C6H12N2O and molecular weight 128.09 g/mol. IUPAC: 3-aminoazepan-2-one.
Chemical Property Profile of 2H-Azepin-2-one, 3-aminohexahydro-
Property Insights of 2H-Azepin-2-one, 3-aminohexahydro-
The XLogP value of -0.5 indicates that 2H-Azepin-2-one, 3-aminohexahydro- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.1 Ų, 2H-Azepin-2-one, 3-aminohexahydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-Azepin-2-one, 3-aminohexahydro- has 2 hydrogen bond donor(s) and 2 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 2H-Azepin-2-one, 3-aminohexahydro-?
The CAS number of 2H-Azepin-2-one, 3-aminohexahydro- is 671-42-1.
What is the molecular formula of 2H-Azepin-2-one, 3-aminohexahydro-?
The molecular formula of 2H-Azepin-2-one, 3-aminohexahydro- is C6H12N2O.
What is the molecular weight of 2H-Azepin-2-one, 3-aminohexahydro-?
The molecular weight of 2H-Azepin-2-one, 3-aminohexahydro- is 128.09 g/mol.
Where can I buy 2H-Azepin-2-one, 3-aminohexahydro-?
You can request a quote for 2H-Azepin-2-one, 3-aminohexahydro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-Azepin-2-one, 3-aminohexahydro-?
Yes, KEHONG BIO provides custom synthesis services for 2H-Azepin-2-one, 3-aminohexahydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.