3,3'-Diallylthiacarbocyanine iodide
TL;DR: 3,3'-Diallylthiacarbocyanine iodide (CAS 34263-37-1) is a chemical compound with molecular formula C23H21N2S2+ and molecular weight 389.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-3-prop-2-enyl-2-[(E)-3-(3-prop-2-enyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole
Also Known As: 3,3'-Diallylthiacarbocyanine iodide, EINECS 251-902-8, methyl n-(4-aminobenzoyl)-beta-alaninate, 3-Allyl-2-(3-(3-allylbenzothiazol-2(3H)-ylidene)prop-1-enyl)benzothiazolium iodide, 3-ALLYL-2-[3-[3-ALLYLBENZOTHIAZOL-2(3H)-YLIDENE]PROP-1-ENYL]BENZOTHIAZOLIUM IODIDE
| Molecular Formula | C23H21N2S2+ |
|---|---|
| Molecular Weight | 389.11 g/mol |
| LogP | 6.0277 |
| Topological Polar Surface Area | 7.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 389.11462 |
| Heavy Atoms | 27 |
| Complexity | 1059.1805 |
Chemical Identifiers
| CAS Number | 34263-37-1 |
|---|---|
| SMILES | C=CCN\1C2=CC=CC=C2S/C1=C\C=C\C3=[N+](C4=CC=CC=C4S3)CC=C |
Product Overview
3,3'-Diallylthiacarbocyanine iodide (CAS 34263-37-1), with molecular formula C23H21N2S2+ and molecular weight 389.11 g/mol. IUPAC: (2Z)-3-prop-2-enyl-2-[(E)-3-(3-prop-2-enyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole.
Chemical Property Profile of 3,3'-Diallylthiacarbocyanine iodide
Property Insights of 3,3'-Diallylthiacarbocyanine iodide
The XLogP value of 6.0277 indicates that 3,3'-Diallylthiacarbocyanine iodide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 7.12 Ų, 3,3'-Diallylthiacarbocyanine iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3'-Diallylthiacarbocyanine iodide 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 3,3'-Diallylthiacarbocyanine iodide?
The CAS number of 3,3'-Diallylthiacarbocyanine iodide is 34263-37-1.
What is the molecular formula of 3,3'-Diallylthiacarbocyanine iodide?
The molecular formula of 3,3'-Diallylthiacarbocyanine iodide is C23H21N2S2+.
What is the molecular weight of 3,3'-Diallylthiacarbocyanine iodide?
The molecular weight of 3,3'-Diallylthiacarbocyanine iodide is 389.11 g/mol.
Where can I buy 3,3'-Diallylthiacarbocyanine iodide?
You can request a quote for 3,3'-Diallylthiacarbocyanine iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-Diallylthiacarbocyanine iodide?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-Diallylthiacarbocyanine iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.