RefChem:216280
TL;DR: RefChem:216280 (CAS 4172-75-2) is a chemical compound with molecular formula C14H21ClN2OS and molecular weight 300.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,3-dihydro-1-benzothiepin-5-yl)-N-[2-(dimethylamino)ethyl]hydroxylamine;hydrochloride
Also Known As: 1,2-Ethanediamine, N-(2,3-dihydro-1-benzothiepin-5-yl)-N',N'-dimethyl-N-hydroxy-, monohydrochloride, 5-(N-(2-Dimethylaminoethyl)hydroxylamino)-2,3-dihydro-1-benzothiepin hydrochloride, N-(2,3-Dihydro-1-benzothiepin-5-yl)-N',N'-dimethyl-N-hydroxy-1,2-ethanediamine HCl, n-(2,3-dihydro-1-benzothiepin-5-yl)-n-hydroxy-n',n'-dimethylethane-1,2-diamine hydrochloride(1:1), N-(2,3-dihydro-1-benzothiepin-5-yl)-N-(2-dimethylaminoethyl)hydroxylamine hydrochloride
| Molecular Formula | C14H21ClN2OS |
|---|---|
| Molecular Weight | 300.11 g/mol |
| LogP | 3.1979 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.10632 |
| Heavy Atoms | 19 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 4172-75-2 |
|---|---|
| SMILES | CN(C)CCN(C1=CCCSC2=CC=CC=C12)O.Cl |
| InChIKey | GNBDCZUNFIWLML-UHFFFAOYSA-N |
Product Overview
RefChem:216280 (CAS 4172-75-2), with molecular formula C14H21ClN2OS and molecular weight 300.11 g/mol. IUPAC: N-(2,3-dihydro-1-benzothiepin-5-yl)-N-[2-(dimethylamino)ethyl]hydroxylamine;hydrochloride.
Chemical Property Profile of RefChem:216280
Property Insights of RefChem:216280
The XLogP value of 3.1979 indicates that RefChem:216280 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.0 Ų, RefChem:216280 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:216280 has 2 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 RefChem:216280?
The CAS number of RefChem:216280 is 4172-75-2.
What is the molecular formula of RefChem:216280?
The molecular formula of RefChem:216280 is C14H21ClN2OS.
What is the molecular weight of RefChem:216280?
The molecular weight of RefChem:216280 is 300.11 g/mol.
Where can I buy RefChem:216280?
You can request a quote for RefChem:216280 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:216280?
Yes, KEHONG BIO provides custom synthesis services for RefChem:216280 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.