RefChem:1084306
TL;DR: RefChem:1084306 (CAS 16181-79-6) is a chemical compound with molecular formula C8H21Cl2N3S and molecular weight 261.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-diazinan-1-ium-2-ylsulfanyl)ethyl-dimethylazanium dichloride
Also Known As: Ethanamine, N,N-dimethyl-2-((1,4,5,6-tetrahydro-2-pyrimidinyl)thio)-, dihydrochloride, 2-(1,3-diazinan-1-ium-2-ylsulfanyl)ethyl-dimethylazanium dichloride, N,N-Dimethyl-2-((1,4,5,6-tetrahydro-2-pyrimidinyl)thio)ethanamine dihydrochloride, RefChem:1084306
| Molecular Formula | C8H21Cl2N3S |
|---|---|
| Molecular Weight | 261.08 g/mol |
| LogP | -8.29 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.0833 |
| Heavy Atoms | 14 |
| Complexity | 119.0 |
Chemical Identifiers
| CAS Number | 16181-79-6 |
|---|---|
| SMILES | C[NH+](C)CCSC1[NH2+]CCCN1.[Cl-].[Cl-] |
| InChIKey | QOJYRJIQGUUJJL-UHFFFAOYSA-N |
Product Overview
RefChem:1084306 (CAS 16181-79-6), with molecular formula C8H21Cl2N3S and molecular weight 261.08 g/mol. IUPAC: 2-(1,3-diazinan-1-ium-2-ylsulfanyl)ethyl-dimethylazanium dichloride.
Chemical Property Profile of RefChem:1084306
Property Insights of RefChem:1084306
The XLogP value of -8.29 indicates that RefChem:1084306 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.4 Ų, RefChem:1084306 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1084306 has 3 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:1084306?
The CAS number of RefChem:1084306 is 16181-79-6.
What is the molecular formula of RefChem:1084306?
The molecular formula of RefChem:1084306 is C8H21Cl2N3S.
What is the molecular weight of RefChem:1084306?
The molecular weight of RefChem:1084306 is 261.08 g/mol.
Where can I buy RefChem:1084306?
You can request a quote for RefChem:1084306 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1084306?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1084306 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.