RefChem:1057905
TL;DR: RefChem:1057905 (CAS 5254-29-5) is a chemical compound with molecular formula C13H18ClN3 and molecular weight 251.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-3-ium-2-amine chloride
Also Known As: 2-(1,2,3,4-Tetrahydro-1-naphthylamino)-2-imidazoline hydrochloride, 2-IMIDAZOLINE, 2-(1,2,3,4-TETRAHYDRO-1-NAPHTHYLAMINO)-, HYDROCHLORIDE, N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-3-ium-2-amine chloride, 2-(1,2,3,4-Tetrahydro-1-naphthylamino)-2-imidazoline HCl, 2-Imidazoline, 2-[(1,2,3,4-tetrahydro-1-naphthyl)amino]-, hydrochloride
| Molecular Formula | C13H18ClN3 |
|---|---|
| Molecular Weight | 251.12 g/mol |
| LogP | -3.3 |
| Topological Polar Surface Area | 38.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.11893 |
| Heavy Atoms | 17 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 5254-29-5 |
|---|---|
| SMILES | C1CC(C2=CC=CC=C2C1)NC3=[NH+]CCN3.[Cl-] |
| InChIKey | FXPPZXZSSBRGQL-UHFFFAOYSA-N |
Product Overview
RefChem:1057905 (CAS 5254-29-5), with molecular formula C13H18ClN3 and molecular weight 251.12 g/mol. IUPAC: N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-3-ium-2-amine chloride.
Chemical Property Profile of RefChem:1057905
Property Insights of RefChem:1057905
The XLogP value of -3.3 indicates that RefChem:1057905 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 38.0 Ų, RefChem:1057905 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1057905 has 3 hydrogen bond donor(s) and 1 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:1057905?
The CAS number of RefChem:1057905 is 5254-29-5.
What is the molecular formula of RefChem:1057905?
The molecular formula of RefChem:1057905 is C13H18ClN3.
What is the molecular weight of RefChem:1057905?
The molecular weight of RefChem:1057905 is 251.12 g/mol.
Where can I buy RefChem:1057905?
You can request a quote for RefChem:1057905 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1057905?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1057905 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.