2H-Azepin-2-one, hexahydro-1-(hydroxymethyl)-
TL;DR: 2H-Azepin-2-one, hexahydro-1-(hydroxymethyl)- (CAS 13088-64-7) is a chemical compound with molecular formula C7H13NO2 and molecular weight 143.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(hydroxymethyl)azepan-2-one
Also Known As: 1-(hydroxymethyl)azepan-2-one, N-Methylolcaprolactam, N-methylol-caprolactam, 2H-Azepin-2-one, hexahydro-1-(hydroxymethyl)-, Hexahydro-1-(hydroxymethyl)-2H-azepin-2-one
| Molecular Formula | C7H13NO2 |
|---|---|
| Molecular Weight | 143.09 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 143.09464 |
| Heavy Atoms | 10 |
| Complexity | 125.0 |
Chemical Identifiers
| CAS Number | 13088-64-7 |
|---|---|
| SMILES | C1CCC(=O)N(CC1)CO |
| InChIKey | QBUDWHWPQWURCC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2H-Azepin-2-one, hexahydro-1-(hydroxymethyl)- (CAS 13088-64-7), with molecular formula C7H13NO2 and molecular weight 143.09 g/mol. IUPAC: 1-(hydroxymethyl)azepan-2-one.
Chemical Property Profile of 2H-Azepin-2-one, hexahydro-1-(hydroxymethyl)-
Property Insights of 2H-Azepin-2-one, hexahydro-1-(hydroxymethyl)-
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-Azepin-2-one, hexahydro-1-(hydroxymethyl)-. With a topological polar surface area (TPSA) of 40.5 Ų, 2H-Azepin-2-one, hexahydro-1-(hydroxymethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-Azepin-2-one, hexahydro-1-(hydroxymethyl)- has 1 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, hexahydro-1-(hydroxymethyl)-?
The CAS number of 2H-Azepin-2-one, hexahydro-1-(hydroxymethyl)- is 13088-64-7.
What is the molecular formula of 2H-Azepin-2-one, hexahydro-1-(hydroxymethyl)-?
The molecular formula of 2H-Azepin-2-one, hexahydro-1-(hydroxymethyl)- is C7H13NO2.
What is the molecular weight of 2H-Azepin-2-one, hexahydro-1-(hydroxymethyl)-?
The molecular weight of 2H-Azepin-2-one, hexahydro-1-(hydroxymethyl)- is 143.09 g/mol.
Where can I buy 2H-Azepin-2-one, hexahydro-1-(hydroxymethyl)-?
You can request a quote for 2H-Azepin-2-one, hexahydro-1-(hydroxymethyl)- 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, hexahydro-1-(hydroxymethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2H-Azepin-2-one, hexahydro-1-(hydroxymethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.