EINECS 219-032-3
TL;DR: EINECS 219-032-3 (CAS 2321-65-5) is a chemical compound with molecular formula C35H36N4O6S3 and molecular weight 704.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[1-(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)-3-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)prop-1-en-2-yl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]butane-1-sulfonate
Also Known As: ammonium hydrogen As-methylarsonate, 2-(2-(2,3-Dihydro-5-methyl-3-oxo-2-phenyl-1-(4-sulphonatobutyl)-1H-pyrazol-4-yl)-3-(6-methoxy-3-methyl-3H-benzothiazol-2-ylidene)prop-1-enyl)-6-methoxy-3-methylbenzothiazolium, 4-[4-[1-(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)-3-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)prop-1-en-2-yl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]butane-1-sulfonate, 2-[2-[2,3-dihydro-5-methyl-3-oxo-2-phenyl-1-(4-sulphonatobutyl)-1H-pyrazol-4-yl]-3-(6-methoxy-3-methyl-3H-benzothiazol-2-ylidene)prop-1-enyl]-6-methoxy-3-methylbenzothiazolium, 4-{4-[1-(6-Methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)-3-(6-methoxy-3-methyl-1,3-benzothiazol-2(3H)-ylidene)prop-1-en-2-yl]-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-1-yl}butane-1-sulfonate
| Molecular Formula | C35H36N4O6S3 |
|---|---|
| Molecular Weight | 704.18 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 168.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 704.1797 |
| Heavy Atoms | 48 |
| Complexity | 1310.0 |
Chemical Identifiers
| CAS Number | 2321-65-5 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1CCCCS(=O)(=O)[O-])C2=CC=CC=C2)C(=CC3=[N+](C4=C(S3)C=C(C=C4)OC)C)C=C5N(C6=C(S5)C=C(C=C6)OC)C |
| InChIKey | WVXXUIKUBNLFPA-UHFFFAOYSA-N |
Product Overview
EINECS 219-032-3 (CAS 2321-65-5), with molecular formula C35H36N4O6S3 and molecular weight 704.18 g/mol. IUPAC: 4-[4-[1-(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)-3-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)prop-1-en-2-yl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]butane-1-sulfonate.
Chemical Property Profile of EINECS 219-032-3
Property Insights of EINECS 219-032-3
The XLogP value of 7.1 indicates that EINECS 219-032-3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 168.0 Ų indicates high polarity, suggesting EINECS 219-032-3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 219-032-3 has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 219-032-3?
The CAS number of EINECS 219-032-3 is 2321-65-5.
What is the molecular formula of EINECS 219-032-3?
The molecular formula of EINECS 219-032-3 is C35H36N4O6S3.
What is the molecular weight of EINECS 219-032-3?
The molecular weight of EINECS 219-032-3 is 704.18 g/mol.
Where can I buy EINECS 219-032-3?
You can request a quote for EINECS 219-032-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 219-032-3?
Yes, KEHONG BIO provides custom synthesis services for EINECS 219-032-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.