Bromothen hydrochloride
TL;DR: Bromothen hydrochloride (CAS 5801-12-7) is a chemical compound with molecular formula C14H19BrClN3S and molecular weight 375.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5-bromothiophen-2-yl)methyl]-N,N'-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;hydrochloride
Also Known As: Bromothen hydrochloride, Pyridine, 2-((5-bromo-2-thenyl)(2-(dimethylamino)ethyl)amino)-, monohydrochloride, N,N-Dimethyl-N'-(2-pyridyl)-N'-(5-bromo-2-thenyl)ethylenediamine hydrochloride, N-[(5-bromothiophen-2-yl)methyl]-N,N'-dimethyl-N'-pyridin-2-ylethane-1,2-diamine hydrochloride, N~1~-[(5-Bromothiophen-2-yl)methyl]-N~1~,N~2~-dimethyl-N~2~-(pyridin-2-yl)ethane-1,2-diamine--hydrogen chloride (1/1)
| Molecular Formula | C14H19BrClN3S |
|---|---|
| Molecular Weight | 375.02 g/mol |
| LogP | 3.8956 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 375.01715 |
| Heavy Atoms | 20 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 5801-12-7 |
|---|---|
| SMILES | CN(CCN(C)C1=CC=CC=N1)CC2=CC=C(S2)Br.Cl |
| InChIKey | JZRHEEOWACYZEV-UHFFFAOYSA-N |
Product Overview
Bromothen hydrochloride (CAS 5801-12-7), with molecular formula C14H19BrClN3S and molecular weight 375.02 g/mol. IUPAC: N-[(5-bromothiophen-2-yl)methyl]-N,N'-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;hydrochloride.
Chemical Property Profile of Bromothen hydrochloride
Property Insights of Bromothen hydrochloride
The XLogP value of 3.8956 indicates that Bromothen hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, Bromothen hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bromothen 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 Bromothen hydrochloride?
The CAS number of Bromothen hydrochloride is 5801-12-7.
What is the molecular formula of Bromothen hydrochloride?
The molecular formula of Bromothen hydrochloride is C14H19BrClN3S.
What is the molecular weight of Bromothen hydrochloride?
The molecular weight of Bromothen hydrochloride is 375.02 g/mol.
Where can I buy Bromothen hydrochloride?
You can request a quote for Bromothen hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bromothen hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Bromothen hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.