四甲基罗丹明硫氰酸盐
TL;DR: 四甲基罗丹明硫氰酸盐 (CAS 4158-89-8) is a chemical compound with molecular formula C25H22ClN3O3S and molecular weight 479.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
四甲基罗丹明硫氰酸盐
[9-(2-carboxy-4-thiocyanatophenyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium chloride
Also Known As: TRITC, tetramethylrhodamine thiocyanate, Tetramethylrhodamine isothiocyanate, Thiocyanatotetramethylrhodamine, Rhodamine tetramethylthiocyanate
| Molecular Formula | C25H22ClN3O3S |
|---|---|
| Molecular Weight | 479.11 g/mol |
| LogP | 1.58 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 479.10703 |
| Heavy Atoms | 33 |
| Complexity | 907.0 |
Chemical Identifiers
| CAS Number | 4158-89-8 |
|---|---|
| SMILES | CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=C(C=C(C=C4)SC#N)C(=O)O.[Cl-] |
| InChIKey | JGVWCANSWKRBCS-UHFFFAOYSA-N |
Product Overview
四甲基罗丹明硫氰酸盐 (CAS 4158-89-8), with molecular formula C25H22ClN3O3S and molecular weight 479.11 g/mol. IUPAC: [9-(2-carboxy-4-thiocyanatophenyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium chloride.
Chemical Property Profile of 四甲基罗丹明硫氰酸盐
Property Insights of 四甲基罗丹明硫氰酸盐
The XLogP value of 1.58 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 四甲基罗丹明硫氰酸盐. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 四甲基罗丹明硫氰酸盐. Following Lipinski's Rule of Five, 四甲基罗丹明硫氰酸盐 has 1 hydrogen bond donor(s) and 7 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 四甲基罗丹明硫氰酸盐?
The CAS number of 四甲基罗丹明硫氰酸盐 is 4158-89-8.
What is the molecular formula of 四甲基罗丹明硫氰酸盐?
The molecular formula of 四甲基罗丹明硫氰酸盐 is C25H22ClN3O3S.
What is the molecular weight of 四甲基罗丹明硫氰酸盐?
The molecular weight of 四甲基罗丹明硫氰酸盐 is 479.11 g/mol.
Where can I buy 四甲基罗丹明硫氰酸盐?
You can request a quote for 四甲基罗丹明硫氰酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 四甲基罗丹明硫氰酸盐?
Yes, KEHONG BIO provides custom synthesis services for 四甲基罗丹明硫氰酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.