1-Propanone,1- -3- -,hydrochloride
TL;DR: 1-Propanone,1- -3- -,hydrochloride (CAS 30075-13-9) is a chemical compound with molecular formula C20H32ClNO2 and molecular weight 353.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(azepan-1-yl)-1-(3-ethyl-4-propoxyphenyl)propan-1-one;hydrochloride
Also Known As: 1-Propanone,1- -3- -,hydrochloride, 3'-Ethyl-3-(hexahydro-1H-azepin-1-yl)-4'-propoxy-propiophenone hydrochloride, 1-Propanone, 1-(3-ethyl-4-propoxyphenyl)-3-(hexahydro-1H-azepin-1-yl)-, hydrochloride, beta-(Hexamethylenimino)aethyl-(4-n-propoxy-3-aethylphenyl)-ketonhydrochlorid [German], beta-(Hexamethylenimino)aethyl-(4-n-propoxy-3-aethylphenyl)-ketonhydrochlorid
| Molecular Formula | C20H32ClNO2 |
|---|---|
| Molecular Weight | 353.21 g/mol |
| LogP | 4.9084 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 353.21216 |
| Heavy Atoms | 24 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 30075-13-9 |
|---|---|
| SMILES | CCCOC1=C(C=C(C=C1)C(=O)CCN2CCCCCC2)CC.Cl |
| InChIKey | DQICVBQNRQCIFB-UHFFFAOYSA-N |
Product Overview
1-Propanone,1- -3- -,hydrochloride (CAS 30075-13-9), with molecular formula C20H32ClNO2 and molecular weight 353.21 g/mol. IUPAC: 3-(azepan-1-yl)-1-(3-ethyl-4-propoxyphenyl)propan-1-one;hydrochloride.
Chemical Property Profile of 1-Propanone,1- -3- -,hydrochloride
Property Insights of 1-Propanone,1- -3- -,hydrochloride
The XLogP value of 4.9084 indicates that 1-Propanone,1- -3- -,hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 1-Propanone,1- -3- -,hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Propanone,1- -3- -,hydrochloride has 1 hydrogen bond donor(s) and 3 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 1-Propanone,1- -3- -,hydrochloride?
The CAS number of 1-Propanone,1- -3- -,hydrochloride is 30075-13-9.
What is the molecular formula of 1-Propanone,1- -3- -,hydrochloride?
The molecular formula of 1-Propanone,1- -3- -,hydrochloride is C20H32ClNO2.
What is the molecular weight of 1-Propanone,1- -3- -,hydrochloride?
The molecular weight of 1-Propanone,1- -3- -,hydrochloride is 353.21 g/mol.
Where can I buy 1-Propanone,1- -3- -,hydrochloride?
You can request a quote for 1-Propanone,1- -3- -,hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Propanone,1- -3- -,hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Propanone,1- -3- -,hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.