1-Butanone, 1-benzo(b)thien-2-yl-4-(dimethylamino)-, hydrochloride
TL;DR: 1-Butanone, 1-benzo(b)thien-2-yl-4-(dimethylamino)-, hydrochloride (CAS 61508-08-5) is a chemical compound with molecular formula C14H18ClNOS and molecular weight 283.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-benzothiophen-2-yl)-4-(dimethylamino)butan-1-one;hydrochloride
Also Known As: 1-Butanone, 1-benzo(b)thien-2-yl-4-(dimethylamino)-, hydrochloride, 1-Benzo(b)thien-2-yl-4-(dimethylamino)-1-butanone hydrochloride, 1-(1-benzothiophen-2-yl)-4-(dimethylamino)butan-1-one hydrochloride, 1-(1-Benzothiophen-2-yl)-4-(dimethylamino)butan-1-one--hydrogen chloride (1/1), RefChem:228875
| Molecular Formula | C14H18ClNOS |
|---|---|
| Molecular Weight | 283.08 g/mol |
| LogP | 3.8476 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 283.07977 |
| Heavy Atoms | 18 |
| Complexity | 488.2433 |
Chemical Identifiers
| CAS Number | 61508-08-5 |
|---|---|
| SMILES | CN(C)CCCC(=O)C1=CC2=CC=CC=C2S1.Cl |
Product Overview
1-Butanone, 1-benzo(b)thien-2-yl-4-(dimethylamino)-, hydrochloride (CAS 61508-08-5), with molecular formula C14H18ClNOS and molecular weight 283.08 g/mol. IUPAC: 1-(1-benzothiophen-2-yl)-4-(dimethylamino)butan-1-one;hydrochloride.
Chemical Property Profile of 1-Butanone, 1-benzo(b)thien-2-yl-4-(dimethylamino)-, hydrochloride
Property Insights of 1-Butanone, 1-benzo(b)thien-2-yl-4-(dimethylamino)-, hydrochloride
The XLogP value of 3.8476 indicates that 1-Butanone, 1-benzo(b)thien-2-yl-4-(dimethylamino)-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, 1-Butanone, 1-benzo(b)thien-2-yl-4-(dimethylamino)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butanone, 1-benzo(b)thien-2-yl-4-(dimethylamino)-, hydrochloride has 0 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-Butanone, 1-benzo(b)thien-2-yl-4-(dimethylamino)-, hydrochloride?
The CAS number of 1-Butanone, 1-benzo(b)thien-2-yl-4-(dimethylamino)-, hydrochloride is 61508-08-5.
What is the molecular formula of 1-Butanone, 1-benzo(b)thien-2-yl-4-(dimethylamino)-, hydrochloride?
The molecular formula of 1-Butanone, 1-benzo(b)thien-2-yl-4-(dimethylamino)-, hydrochloride is C14H18ClNOS.
What is the molecular weight of 1-Butanone, 1-benzo(b)thien-2-yl-4-(dimethylamino)-, hydrochloride?
The molecular weight of 1-Butanone, 1-benzo(b)thien-2-yl-4-(dimethylamino)-, hydrochloride is 283.08 g/mol.
Where can I buy 1-Butanone, 1-benzo(b)thien-2-yl-4-(dimethylamino)-, hydrochloride?
You can request a quote for 1-Butanone, 1-benzo(b)thien-2-yl-4-(dimethylamino)-, 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, 1-benzo(b)thien-2-yl-4-(dimethylamino)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Butanone, 1-benzo(b)thien-2-yl-4-(dimethylamino)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.