4-(Azepan-1-yl)butan-2-one--hydrogen chloride (1/1)
TL;DR: 4-(Azepan-1-yl)butan-2-one--hydrogen chloride (1/1) (CAS 111472-70-9) is a chemical compound with molecular formula C10H20ClNO and molecular weight 205.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(azepan-1-ium-1-yl)butan-2-one chloride
Also Known As: 1-(3-oxobutyl)azepanium chloride, 4-(azepan-1-ium-1-yl)butan-2-one, 4-(azepan-1-ium-1-yl)butan-2-one chloride, 4-(Hexahydro-1H-azepin-1-yl)-2-butanone hydrochloride, 2-BUTANONE, 4-(HEXAHYDRO-1H-AZEPIN-1-YL)-, HYDROCHLORIDE
| Molecular Formula | C10H20ClNO |
|---|---|
| Molecular Weight | 205.12 g/mol |
| LogP | -2.57 |
| Topological Polar Surface Area | 21.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 205.12334 |
| Heavy Atoms | 13 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 111472-70-9 |
|---|---|
| SMILES | CC(=O)CC[NH+]1CCCCCC1.[Cl-] |
| InChIKey | INUXMLQXVLOVNR-UHFFFAOYSA-N |
Product Overview
4-(Azepan-1-yl)butan-2-one--hydrogen chloride (1/1) (CAS 111472-70-9), with molecular formula C10H20ClNO and molecular weight 205.12 g/mol. IUPAC: 4-(azepan-1-ium-1-yl)butan-2-one chloride.
Chemical Property Profile of 4-(Azepan-1-yl)butan-2-one--hydrogen chloride (1/1)
Property Insights of 4-(Azepan-1-yl)butan-2-one--hydrogen chloride (1/1)
The XLogP value of -2.57 indicates that 4-(Azepan-1-yl)butan-2-one--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 21.5 Ų, 4-(Azepan-1-yl)butan-2-one--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Azepan-1-yl)butan-2-one--hydrogen chloride (1/1) 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 4-(Azepan-1-yl)butan-2-one--hydrogen chloride (1/1)?
The CAS number of 4-(Azepan-1-yl)butan-2-one--hydrogen chloride (1/1) is 111472-70-9.
What is the molecular formula of 4-(Azepan-1-yl)butan-2-one--hydrogen chloride (1/1)?
The molecular formula of 4-(Azepan-1-yl)butan-2-one--hydrogen chloride (1/1) is C10H20ClNO.
What is the molecular weight of 4-(Azepan-1-yl)butan-2-one--hydrogen chloride (1/1)?
The molecular weight of 4-(Azepan-1-yl)butan-2-one--hydrogen chloride (1/1) is 205.12 g/mol.
Where can I buy 4-(Azepan-1-yl)butan-2-one--hydrogen chloride (1/1)?
You can request a quote for 4-(Azepan-1-yl)butan-2-one--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Azepan-1-yl)butan-2-one--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 4-(Azepan-1-yl)butan-2-one--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.