RefChem:297488
TL;DR: RefChem:297488 (CAS 21176-88-5) is a chemical compound with molecular formula C17H23IN2S and molecular weight 414.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-4-(3-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-3-ium-2-yl)aniline iodide
Also Known As: 4H-Cycloheptathiazolium, 2-(p-(dimethylamino)phenyl)-5,6,7,8-tetrahydro-3-methyl-, iodide, 2-(p-(Dimethylamino)phenyl)-5,6,7,8-tetrahydro-3-methyl-4H-cycloheptathiazolium iodide, N,N-Dimethyl-4-(3-methyl-3,4,5,6,7,8-hexahydro-2H-cyclohepta[d][1,3]thiazol-2-ylidene)cyclohexa-2,5-dien-1-iminium iodide, N,N-dimethyl-4-(3-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-3-ium-2-yl)aniline iodide, RefChem:297488
| Molecular Formula | C17H23IN2S |
|---|---|
| Molecular Weight | 414.06 g/mol |
| LogP | 0.58 |
| Topological Polar Surface Area | 35.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 414.06268 |
| Heavy Atoms | 21 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 21176-88-5 |
|---|---|
| SMILES | C[N+]1=C(SC2=C1CCCCC2)C3=CC=C(C=C3)N(C)C.[I-] |
| InChIKey | UIZJMJHHYOOWAE-UHFFFAOYSA-M |
Product Overview
RefChem:297488 (CAS 21176-88-5), with molecular formula C17H23IN2S and molecular weight 414.06 g/mol. IUPAC: N,N-dimethyl-4-(3-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-3-ium-2-yl)aniline iodide.
Chemical Property Profile of RefChem:297488
Property Insights of RefChem:297488
The XLogP value of 0.58 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:297488. With a topological polar surface area (TPSA) of 35.4 Ų, RefChem:297488 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:297488 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 RefChem:297488?
The CAS number of RefChem:297488 is 21176-88-5.
What is the molecular formula of RefChem:297488?
The molecular formula of RefChem:297488 is C17H23IN2S.
What is the molecular weight of RefChem:297488?
The molecular weight of RefChem:297488 is 414.06 g/mol.
Where can I buy RefChem:297488?
You can request a quote for RefChem:297488 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:297488?
Yes, KEHONG BIO provides custom synthesis services for RefChem:297488 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.