EINECS 263-683-6
TL;DR: EINECS 263-683-6 (CAS 62669-62-9) is a chemical compound with molecular formula C53H48ClN3O8S2 and molecular weight 953.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(2E)-2-[(2E)-2-[3-[(E)-2-[3-(4-methoxy-4-oxobutyl)benzo[f][1,3]benzothiazol-3-ium-2-yl]ethenyl]-2-(N-phenylanilino)cyclopent-2-en-1-ylidene]ethylidene]benzo[f][1,3]benzothiazol-3-yl]butanoate perchlorate
Also Known As: EINECS 263-683-6, Naphtho(2,3-d)thiazolium, 2-(2-(2-(diphenylamino)-3-((3-(4-methoxy-4-oxobutyl)naphtho(2,3-d)thiazol-2(3H)-ylidene)ethylidene)-1-cyclopenten-1-yl)ethenyl)-3-(4-methoxy-4-oxobutyl)-, perchlorate, Naphtho[2,3-d]thiazolium, 2-[2-[2-(diphenylamino)-3-[[3-(4-methoxy-4-oxobutyl)naphtho[2,3-d]thiazol-2(3H)-ylidene]ethylidene]-1-cyclopenten-1-yl]ethenyl]-3-(4-methoxy-4-oxobutyl)-, perchlorate, Naphtho(2,3-d)thiazolium, 2-(2-(2-(diphenylamino)-3-(2-(3-(4-methoxy-4-oxobutyl)naphtho(2,3-d)thiazol-2(3H)-ylidene)ethylidene)-1-cyclopenten-1-yl)ethenyl)-3-(4-methoxy-4-oxobutyl)-, perchlorate (1:1), 2-[2-[2-(diphenylamino)-3-[[3-(4-methoxy-4-oxobutyl)naphtho[d]thiazol-2(3H)-ylidene]ethylidene]-1-cyclopenten-1-yl]vinyl]-3-(4-methoxy-4-oxobutyl)naphtho[2,3-d]thiazolium perchlorate
| Molecular Formula | C53H48ClN3O8S2 |
|---|---|
| Molecular Weight | 953.26 g/mol |
| LogP | 7.9251 |
| Topological Polar Surface Area | 155.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 14 |
| Exact Mass | 953.25714 |
| Heavy Atoms | 67 |
| Complexity | 2991.0857 |
Chemical Identifiers
| CAS Number | 62669-62-9 |
|---|---|
| SMILES | COC(=O)CCCN\1C2=CC3=CC=CC=C3C=C2S/C1=C/C=C/4\CCC(=C4N(C5=CC=CC=C5)C6=CC=CC=C6)/C=C/C7=[N+](C8=CC9=CC=CC=C9C=C8S7)CCCC(=O)OC.[O-]Cl(=O)(=O)=O |
Product Overview
EINECS 263-683-6 (CAS 62669-62-9), with molecular formula C53H48ClN3O8S2 and molecular weight 953.26 g/mol. IUPAC: methyl 4-[(2E)-2-[(2E)-2-[3-[(E)-2-[3-(4-methoxy-4-oxobutyl)benzo[f][1,3]benzothiazol-3-ium-2-yl]ethenyl]-2-(N-phenylanilino)cyclopent-2-en-1-ylidene]ethylidene]benzo[f][1,3]benzothiazol-3-yl]butanoate perchlorate.
Chemical Property Profile of EINECS 263-683-6
Property Insights of EINECS 263-683-6
The XLogP value of 7.9251 indicates that EINECS 263-683-6 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.2 Ų indicates high polarity, suggesting EINECS 263-683-6 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 263-683-6 has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 263-683-6?
The CAS number of EINECS 263-683-6 is 62669-62-9.
What is the molecular formula of EINECS 263-683-6?
The molecular formula of EINECS 263-683-6 is C53H48ClN3O8S2.
What is the molecular weight of EINECS 263-683-6?
The molecular weight of EINECS 263-683-6 is 953.26 g/mol.
Where can I buy EINECS 263-683-6?
You can request a quote for EINECS 263-683-6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 263-683-6?
Yes, KEHONG BIO provides custom synthesis services for EINECS 263-683-6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.