1-Propanone, 1-(4-(4-butoxybutoxy)-3-ethylphenyl)-3-(hexahydro-1H-azepin-1-yl)-, hydrochloride
TL;DR: 1-Propanone, 1-(4-(4-butoxybutoxy)-3-ethylphenyl)-3-(hexahydro-1H-azepin-1-yl)-, hydrochloride (CAS 41771-59-9) is a chemical compound with molecular formula C25H42ClNO3 and molecular weight 439.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(azepan-1-yl)-1-[4-(4-butoxybutoxy)-3-ethylphenyl]propan-1-one;hydrochloride
Also Known As: 1-Propanone, 1-(4-(4-butoxybutoxy)-3-ethylphenyl)-3-(hexahydro-1H-azepin-1-yl)-, hydrochloride, 1-(4-(4-Butoxybutoxy)-3-ethylphenyl)-3-(hexahydro-1H-azepin-1-yl)-1-propanone hydrochloride, 3-(azepan-1-yl)-1-[4-(4-butoxybutoxy)-3-ethylphenyl]propan-1-one hydrochloride, 3-(Azepan-1-yl)-1-[4-(4-butoxybutoxy)-3-ethylphenyl]propan-1-one--hydrogen chloride (1/1), RefChem:234832
| Molecular Formula | C25H42ClNO3 |
|---|---|
| Molecular Weight | 439.29 g/mol |
| LogP | 6.0953 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 439.2853 |
| Heavy Atoms | 30 |
| Complexity | 585.75653 |
Chemical Identifiers
| CAS Number | 41771-59-9 |
|---|---|
| SMILES | CCCCOCCCCOC1=C(C=C(C=C1)C(=O)CCN2CCCCCC2)CC.Cl |
Product Overview
1-Propanone, 1-(4-(4-butoxybutoxy)-3-ethylphenyl)-3-(hexahydro-1H-azepin-1-yl)-, hydrochloride (CAS 41771-59-9), with molecular formula C25H42ClNO3 and molecular weight 439.29 g/mol. IUPAC: 3-(azepan-1-yl)-1-[4-(4-butoxybutoxy)-3-ethylphenyl]propan-1-one;hydrochloride.
Chemical Property Profile of 1-Propanone, 1-(4-(4-butoxybutoxy)-3-ethylphenyl)-3-(hexahydro-1H-azepin-1-yl)-, hydrochloride
Property Insights of 1-Propanone, 1-(4-(4-butoxybutoxy)-3-ethylphenyl)-3-(hexahydro-1H-azepin-1-yl)-, hydrochloride
The XLogP value of 6.0953 indicates that 1-Propanone, 1-(4-(4-butoxybutoxy)-3-ethylphenyl)-3-(hexahydro-1H-azepin-1-yl)-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.77 Ų, 1-Propanone, 1-(4-(4-butoxybutoxy)-3-ethylphenyl)-3-(hexahydro-1H-azepin-1-yl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Propanone, 1-(4-(4-butoxybutoxy)-3-ethylphenyl)-3-(hexahydro-1H-azepin-1-yl)-, hydrochloride has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Propanone, 1-(4-(4-butoxybutoxy)-3-ethylphenyl)-3-(hexahydro-1H-azepin-1-yl)-, hydrochloride?
The CAS number of 1-Propanone, 1-(4-(4-butoxybutoxy)-3-ethylphenyl)-3-(hexahydro-1H-azepin-1-yl)-, hydrochloride is 41771-59-9.
What is the molecular formula of 1-Propanone, 1-(4-(4-butoxybutoxy)-3-ethylphenyl)-3-(hexahydro-1H-azepin-1-yl)-, hydrochloride?
The molecular formula of 1-Propanone, 1-(4-(4-butoxybutoxy)-3-ethylphenyl)-3-(hexahydro-1H-azepin-1-yl)-, hydrochloride is C25H42ClNO3.
What is the molecular weight of 1-Propanone, 1-(4-(4-butoxybutoxy)-3-ethylphenyl)-3-(hexahydro-1H-azepin-1-yl)-, hydrochloride?
The molecular weight of 1-Propanone, 1-(4-(4-butoxybutoxy)-3-ethylphenyl)-3-(hexahydro-1H-azepin-1-yl)-, hydrochloride is 439.29 g/mol.
Where can I buy 1-Propanone, 1-(4-(4-butoxybutoxy)-3-ethylphenyl)-3-(hexahydro-1H-azepin-1-yl)-, hydrochloride?
You can request a quote for 1-Propanone, 1-(4-(4-butoxybutoxy)-3-ethylphenyl)-3-(hexahydro-1H-azepin-1-yl)-, 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-(4-(4-butoxybutoxy)-3-ethylphenyl)-3-(hexahydro-1H-azepin-1-yl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Propanone, 1-(4-(4-butoxybutoxy)-3-ethylphenyl)-3-(hexahydro-1H-azepin-1-yl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.