RefChem:118605
TL;DR: RefChem:118605 (CAS 68443-89-0) is a chemical compound with molecular formula C28H29BrN2O3S2Se and molecular weight 664.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[3-(3-ethyl-5-methoxy-1,3-benzoselenazol-3-ium-2-yl)-2-thiophen-2-ylprop-2-enylidene]-6-methoxy-5-methyl-1,3-benzothiazol-3-yl]ethanol bromide
Also Known As: Benzothiazolium, 2-[3-(3-ethyl-5-methoxy-2(3H)-benzoselenazolylidene)-2-(2-thienyl)-1-propenyl]-3-(2-hydroxyethyl)-6-methoxy-5-methyl-, bromide, 5',6-Dimethoxy-3'-ethyl-3-(2-hydroxyethyl)-5-methyl-9-(2-thienyl)thiaselenacarbocyanine bromide, Benzothiazolium, 2-(3-(3-ethyl-5-methoxy-2(3H)-benzoselenazolylidene)-2-(2-thienyl)-1-propen-1-yl)-3-(2-hydroxyethyl)-6-methoxy-5-methyl-, bromide (1:1), Benzothiazolium, 2-(3-(3-ethyl-5-methoxy-2(3H)-benzoselenazolylidene)-2-(2-thienyl)-1-propenyl)-3-(2-hydroxyethyl)-6-methoxy-5-methyl-, bromide, 2-[3-(3-ethyl-5-methoxybenzoselenazol-2(3H)-ylidene)-2-(thien-2-yl)prop-1-enyl]-3-(2-hydroxyethyl)-6-methoxy-5-methylbenzothiazolium bromide
| Molecular Formula | C28H29BrN2O3S2Se |
|---|---|
| Molecular Weight | 664.00 g/mol |
| LogP | 2.58 |
| Topological Polar Surface Area | 99.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 663.9968 |
| Heavy Atoms | 37 |
| Complexity | 814.0 |
Chemical Identifiers
| CAS Number | 68443-89-0 |
|---|---|
| SMILES | CC[N+]1=C([Se]C2=C1C=C(C=C2)OC)C=C(C=C3N(C4=C(S3)C=C(C(=C4)C)OC)CCO)C5=CC=CS5.[Br-] |
| InChIKey | INTMUIZLORSUOC-UHFFFAOYSA-M |
Product Overview
RefChem:118605 (CAS 68443-89-0), with molecular formula C28H29BrN2O3S2Se and molecular weight 664.00 g/mol. IUPAC: 2-[2-[3-(3-ethyl-5-methoxy-1,3-benzoselenazol-3-ium-2-yl)-2-thiophen-2-ylprop-2-enylidene]-6-methoxy-5-methyl-1,3-benzothiazol-3-yl]ethanol bromide.
Chemical Property Profile of RefChem:118605
Property Insights of RefChem:118605
The XLogP value of 2.58 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:118605. The TPSA of 99.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:118605. Following Lipinski's Rule of Five, RefChem:118605 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:118605?
The CAS number of RefChem:118605 is 68443-89-0.
What is the molecular formula of RefChem:118605?
The molecular formula of RefChem:118605 is C28H29BrN2O3S2Se.
What is the molecular weight of RefChem:118605?
The molecular weight of RefChem:118605 is 664.00 g/mol.
Where can I buy RefChem:118605?
You can request a quote for RefChem:118605 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:118605?
Yes, KEHONG BIO provides custom synthesis services for RefChem:118605 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.