3,3'-二丙基噁二碳花青碘化物
TL;DR: 3,3'-二丙基噁二碳花青碘化物 (CAS 53213-90-4) is a chemical compound with molecular formula C25H27IN2O2 and molecular weight 514.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3'-二丙基噁二碳花青碘化物
3-propyl-2-[5-(3-propyl-1,3-benzoxazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzoxazole iodide
Also Known As: 3,3'-DIPROPYLOXADICARBOCYANINE IODIDE, F9995-0781, 3-propyl-2-((1E,3E,5Z)-5-(3-propylbenzo[d]oxazol-2(3H)-ylidene)penta-1,3-dien-1-yl)benzo[d]oxazol-3-ium iodide, 3-Propyl-2-[5-(3-propyl-2(3h)-benzoxazolylidene)-1,3-pentadien-1-yl]-benzoxazolium iodide, 3-Propyl-2-(5-(3-propylbenzo[d]oxazol-2(3H)-ylidene)penta-1,3-dien-1-yl)benzo[d]oxazol-3-ium iodide
| Molecular Formula | C25H27IN2O2 |
|---|---|
| Molecular Weight | 514.11 g/mol |
| LogP | 2.85 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 514.11176 |
| Heavy Atoms | 30 |
| Complexity | 564.0 |
Chemical Identifiers
| CAS Number | 53213-90-4 |
|---|---|
| SMILES | CCCN1C2=CC=CC=C2OC1=CC=CC=CC3=[N+](C4=CC=CC=C4O3)CCC.[I-] |
| InChIKey | VILDQFLUZSBAGE-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3'-二丙基噁二碳花青碘化物 (CAS 53213-90-4), with molecular formula C25H27IN2O2 and molecular weight 514.11 g/mol. IUPAC: 3-propyl-2-[5-(3-propyl-1,3-benzoxazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzoxazole iodide.
Chemical Property Profile of 3,3'-二丙基噁二碳花青碘化物
Property Insights of 3,3'-二丙基噁二碳花青碘化物
The XLogP value of 2.85 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3'-二丙基噁二碳花青碘化物. With a topological polar surface area (TPSA) of 29.5 Ų, 3,3'-二丙基噁二碳花青碘化物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3'-二丙基噁二碳花青碘化物 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,3'-二丙基噁二碳花青碘化物?
The CAS number of 3,3'-二丙基噁二碳花青碘化物 is 53213-90-4.
What is the molecular formula of 3,3'-二丙基噁二碳花青碘化物?
The molecular formula of 3,3'-二丙基噁二碳花青碘化物 is C25H27IN2O2.
What is the molecular weight of 3,3'-二丙基噁二碳花青碘化物?
The molecular weight of 3,3'-二丙基噁二碳花青碘化物 is 514.11 g/mol.
Where can I buy 3,3'-二丙基噁二碳花青碘化物?
You can request a quote for 3,3'-二丙基噁二碳花青碘化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-二丙基噁二碳花青碘化物?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-二丙基噁二碳花青碘化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.