4-(Diethylamino)-3,4-dihydro-1-benzothiepin-5(2H)-one--hydrogen chloride (1/1)
TL;DR: 4-(Diethylamino)-3,4-dihydro-1-benzothiepin-5(2H)-one--hydrogen chloride (1/1) (CAS 21609-68-7) is a chemical compound with molecular formula C14H20ClNOS and molecular weight 285.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-(5-oxo-3,4-dihydro-2H-1-benzothiepin-4-yl)azanium chloride
Also Known As: 3,4-Dihydro-4-(diethylamino)-1-benzothiepin-5(2H)-one hydrochloride, diethyl-(5-oxo-3,4-dihydro-2H-1-benzothiepin-4-yl)azanium chloride, 4-Diethylamino-2,3,4,5-tetrahydro-1-benzothiepin-5-one hydrochloride, 1-BENZOTHIEPIN-5(2H)-ONE, 3,4-DIHYDRO-4-(DIETHYLAMINO)-, HYDROCHLORIDE, 4-(Diethylamino)-3,4-dihydro-1-benzothiepin-5(2H)-one--hydrogen chloride (1/1)
| Molecular Formula | C14H20ClNOS |
|---|---|
| Molecular Weight | 285.10 g/mol |
| LogP | -1.34 |
| Topological Polar Surface Area | 46.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.0954 |
| Heavy Atoms | 18 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 21609-68-7 |
|---|---|
| SMILES | CC[NH+](CC)C1CCSC2=CC=CC=C2C1=O.[Cl-] |
| InChIKey | SQRBOGICKPRXMQ-UHFFFAOYSA-N |
Product Overview
4-(Diethylamino)-3,4-dihydro-1-benzothiepin-5(2H)-one--hydrogen chloride (1/1) (CAS 21609-68-7), with molecular formula C14H20ClNOS and molecular weight 285.10 g/mol. IUPAC: diethyl-(5-oxo-3,4-dihydro-2H-1-benzothiepin-4-yl)azanium chloride.
Chemical Property Profile of 4-(Diethylamino)-3,4-dihydro-1-benzothiepin-5(2H)-one--hydrogen chloride (1/1)
Property Insights of 4-(Diethylamino)-3,4-dihydro-1-benzothiepin-5(2H)-one--hydrogen chloride (1/1)
The XLogP value of -1.34 indicates that 4-(Diethylamino)-3,4-dihydro-1-benzothiepin-5(2H)-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 46.8 Ų, 4-(Diethylamino)-3,4-dihydro-1-benzothiepin-5(2H)-one--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Diethylamino)-3,4-dihydro-1-benzothiepin-5(2H)-one--hydrogen chloride (1/1) 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 4-(Diethylamino)-3,4-dihydro-1-benzothiepin-5(2H)-one--hydrogen chloride (1/1)?
The CAS number of 4-(Diethylamino)-3,4-dihydro-1-benzothiepin-5(2H)-one--hydrogen chloride (1/1) is 21609-68-7.
What is the molecular formula of 4-(Diethylamino)-3,4-dihydro-1-benzothiepin-5(2H)-one--hydrogen chloride (1/1)?
The molecular formula of 4-(Diethylamino)-3,4-dihydro-1-benzothiepin-5(2H)-one--hydrogen chloride (1/1) is C14H20ClNOS.
What is the molecular weight of 4-(Diethylamino)-3,4-dihydro-1-benzothiepin-5(2H)-one--hydrogen chloride (1/1)?
The molecular weight of 4-(Diethylamino)-3,4-dihydro-1-benzothiepin-5(2H)-one--hydrogen chloride (1/1) is 285.10 g/mol.
Where can I buy 4-(Diethylamino)-3,4-dihydro-1-benzothiepin-5(2H)-one--hydrogen chloride (1/1)?
You can request a quote for 4-(Diethylamino)-3,4-dihydro-1-benzothiepin-5(2H)-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-(Diethylamino)-3,4-dihydro-1-benzothiepin-5(2H)-one--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 4-(Diethylamino)-3,4-dihydro-1-benzothiepin-5(2H)-one--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.