1-Butanone, 4-(hexahydro-1H-azepin-1-yl)-1-(3-thienyl)-, oxime, hydrochloride
TL;DR: 1-Butanone, 4-(hexahydro-1H-azepin-1-yl)-1-(3-thienyl)-, oxime, hydrochloride (CAS 31634-22-7) is a chemical compound with molecular formula C14H23ClN2OS and molecular weight 302.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(NZ)-N-[4-(azepan-1-yl)-1-thiophen-3-ylbutylidene]hydroxylamine;hydrochloride
Also Known As: (Thienyl-3)(gamma-N-hexamethylene-imino-propyl)ketoxime hydrochloride, 1-Butanone, 4-(hexahydro-1H-azepin-1-yl)-1-(3-thienyl)-, oxime, hydrochloride, 4-(Hexahydro-1H-azepin-1-yl)-1-(3-thienyl)-1-butanone oxime hydrochloride, RefChem:1055135
| Molecular Formula | C14H23ClN2OS |
|---|---|
| Molecular Weight | 302.12 g/mol |
| LogP | 4.0044 |
| Topological Polar Surface Area | 35.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 302.12195 |
| Heavy Atoms | 19 |
| Complexity | 359.53268 |
Chemical Identifiers
| CAS Number | 31634-22-7 |
|---|---|
| SMILES | C1CCCN(CC1)CCC/C(=N/O)/C2=CSC=C2.Cl |
Product Overview
1-Butanone, 4-(hexahydro-1H-azepin-1-yl)-1-(3-thienyl)-, oxime, hydrochloride (CAS 31634-22-7), with molecular formula C14H23ClN2OS and molecular weight 302.12 g/mol. IUPAC: (NZ)-N-[4-(azepan-1-yl)-1-thiophen-3-ylbutylidene]hydroxylamine;hydrochloride.
Chemical Property Profile of 1-Butanone, 4-(hexahydro-1H-azepin-1-yl)-1-(3-thienyl)-, oxime, hydrochloride
Property Insights of 1-Butanone, 4-(hexahydro-1H-azepin-1-yl)-1-(3-thienyl)-, oxime, hydrochloride
The XLogP value of 4.0044 indicates that 1-Butanone, 4-(hexahydro-1H-azepin-1-yl)-1-(3-thienyl)-, oxime, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.83 Ų, 1-Butanone, 4-(hexahydro-1H-azepin-1-yl)-1-(3-thienyl)-, oxime, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butanone, 4-(hexahydro-1H-azepin-1-yl)-1-(3-thienyl)-, oxime, hydrochloride has 1 hydrogen bond donor(s) and 4 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-Butanone, 4-(hexahydro-1H-azepin-1-yl)-1-(3-thienyl)-, oxime, hydrochloride?
The CAS number of 1-Butanone, 4-(hexahydro-1H-azepin-1-yl)-1-(3-thienyl)-, oxime, hydrochloride is 31634-22-7.
What is the molecular formula of 1-Butanone, 4-(hexahydro-1H-azepin-1-yl)-1-(3-thienyl)-, oxime, hydrochloride?
The molecular formula of 1-Butanone, 4-(hexahydro-1H-azepin-1-yl)-1-(3-thienyl)-, oxime, hydrochloride is C14H23ClN2OS.
What is the molecular weight of 1-Butanone, 4-(hexahydro-1H-azepin-1-yl)-1-(3-thienyl)-, oxime, hydrochloride?
The molecular weight of 1-Butanone, 4-(hexahydro-1H-azepin-1-yl)-1-(3-thienyl)-, oxime, hydrochloride is 302.12 g/mol.
Where can I buy 1-Butanone, 4-(hexahydro-1H-azepin-1-yl)-1-(3-thienyl)-, oxime, hydrochloride?
You can request a quote for 1-Butanone, 4-(hexahydro-1H-azepin-1-yl)-1-(3-thienyl)-, oxime, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butanone, 4-(hexahydro-1H-azepin-1-yl)-1-(3-thienyl)-, oxime, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Butanone, 4-(hexahydro-1H-azepin-1-yl)-1-(3-thienyl)-, oxime, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.