RefChem:79885
TL;DR: RefChem:79885 (CAS 38926-38-4) is a chemical compound with molecular formula C25H31ClN2O and molecular weight 410.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methoxy-2,3,3-trimethyl-1-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-2H-indol-1-ium chloride
Also Known As: 3-Methyl-2,3-dihydro-benzthiazol, 1H-Indolium, 1-[(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-2,3-dihydro-5-methoxy-2,3,3-trimethyl-, chloride, 1H-Indolium, 1-[2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-2,3-dihydro-5-methoxy-2,3,3-trimethyl-, chloride (1:1), 1H-Indolium, 1-((1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene)-2,3-dihydro-5-methoxy-2,3,3-trimethyl-, chloride, 1H-Indolium, 1-(2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene)-2,3-dihydro-5-methoxy-2,3,3-trimethyl-, chloride (1:1)
| Molecular Formula | C25H31ClN2O |
|---|---|
| Molecular Weight | 410.21 g/mol |
| LogP | 2.4052 |
| Topological Polar Surface Area | 15.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 410.2125 |
| Heavy Atoms | 29 |
| Complexity | 661.0 |
Chemical Identifiers
| CAS Number | 38926-38-4 |
|---|---|
| SMILES | CC1C(C2=C([N+]1=CC=C3C(C4=CC=CC=C4N3C)(C)C)C=CC(=C2)OC)(C)C.[Cl-] |
| InChIKey | NJMYZPJDJLVCHF-UHFFFAOYSA-M |
Product Overview
RefChem:79885 (CAS 38926-38-4), with molecular formula C25H31ClN2O and molecular weight 410.21 g/mol. IUPAC: 5-methoxy-2,3,3-trimethyl-1-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-2H-indol-1-ium chloride.
Chemical Property Profile of RefChem:79885
Property Insights of RefChem:79885
The XLogP value of 2.4052 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:79885. With a topological polar surface area (TPSA) of 15.5 Ų, RefChem:79885 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:79885 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:79885?
The CAS number of RefChem:79885 is 38926-38-4.
What is the molecular formula of RefChem:79885?
The molecular formula of RefChem:79885 is C25H31ClN2O.
What is the molecular weight of RefChem:79885?
The molecular weight of RefChem:79885 is 410.21 g/mol.
Where can I buy RefChem:79885?
You can request a quote for RefChem:79885 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:79885?
Yes, KEHONG BIO provides custom synthesis services for RefChem:79885 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.