CAS 53213-95-9 - C27H31IN2S2
TL;DR: CAS 53213-95-9 - C27H31IN2S2 (CAS 53213-95-9) is a chemical compound with molecular formula C27H31IN2S2 and molecular weight 574.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butyl-2-[5-(3-butyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzothiazole iodide
Also Known As: 3-Butyl-2-[5-(3-butyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-1,3-benzothiazol-3-ium iodide
| Molecular Formula | C27H31IN2S2 |
|---|---|
| Molecular Weight | 574.10 g/mol |
| LogP | 4.8161 |
| Topological Polar Surface Area | 7.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 574.09735 |
| Heavy Atoms | 32 |
| Complexity | 1113.7968 |
Chemical Identifiers
| CAS Number | 53213-95-9 |
|---|---|
| SMILES | CCCCN1C2=CC=CC=C2SC1=CC=CC=CC3=[N+](C4=CC=CC=C4S3)CCCC.[I-] |
Product Overview
CAS 53213-95-9 - C27H31IN2S2 (CAS 53213-95-9), with molecular formula C27H31IN2S2 and molecular weight 574.10 g/mol. IUPAC: 3-butyl-2-[5-(3-butyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzothiazole iodide.
Chemical Property Profile of CAS 53213-95-9 - C27H31IN2S2
Property Insights of CAS 53213-95-9 - C27H31IN2S2
The XLogP value of 4.8161 indicates that CAS 53213-95-9 - C27H31IN2S2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 7.12 Ų, CAS 53213-95-9 - C27H31IN2S2 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CAS 53213-95-9 - C27H31IN2S2 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CAS 53213-95-9 - C27H31IN2S2?
The CAS number of CAS 53213-95-9 - C27H31IN2S2 is 53213-95-9.
What is the molecular formula of CAS 53213-95-9 - C27H31IN2S2?
The molecular formula of CAS 53213-95-9 - C27H31IN2S2 is C27H31IN2S2.
What is the molecular weight of CAS 53213-95-9 - C27H31IN2S2?
The molecular weight of CAS 53213-95-9 - C27H31IN2S2 is 574.10 g/mol.
Where can I buy CAS 53213-95-9 - C27H31IN2S2?
You can request a quote for CAS 53213-95-9 - C27H31IN2S2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CAS 53213-95-9 - C27H31IN2S2?
Yes, KEHONG BIO provides custom synthesis services for CAS 53213-95-9 - C27H31IN2S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.