EINECS 264-472-1
TL;DR: EINECS 264-472-1 (CAS 63815-64-5) is a chemical compound with molecular formula C28H34N2O5S2Se and molecular weight 622.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2Z)-2-[(2E)-2-[(3-ethyl-5-methoxy-1,3-benzoselenazol-3-ium-2-yl)methylidene]butylidene]-6-methoxy-5-methyl-1,3-benzothiazol-3-yl]butane-1-sulfonate
Also Known As: EINECS 264-472-1, Dimethylaminocyanphosphinsaeure-isopropylester, Benzothiazolium, 2-(2-((3-ethyl-5-methoxy-2(3H)-benzoselenazolylidene)methyl)-1-buten-1-yl)-6-methoxy-5-methyl-3-(4-sulfobutyl)-, inner salt, Benzothiazolium, 2-(2-((3-ethyl-5-methoxy-2(3H)-benzoselenazolylidene)methyl)-1-butenyl)-6-methoxy-5-methyl-3-(4-sulfobutyl)-, inner salt, 2-[2-[ methyl]but-1-enyl]-6-methoxy-5-methyl-3- benzothiazolium
| Molecular Formula | C28H34N2O5S2Se |
|---|---|
| Molecular Weight | 622.11 g/mol |
| LogP | 5.10232 |
| Topological Polar Surface Area | 82.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 622.1074 |
| Heavy Atoms | 38 |
| Complexity | 1494.6272 |
Chemical Identifiers
| CAS Number | 63815-64-5 |
|---|---|
| SMILES | CC/C(=C\C1=[N+](C2=C([Se]1)C=CC(=C2)OC)CC)/C=C\3/N(C4=C(S3)C=C(C(=C4)C)OC)CCCCS(=O)(=O)[O-] |
Product Overview
EINECS 264-472-1 (CAS 63815-64-5), with molecular formula C28H34N2O5S2Se and molecular weight 622.11 g/mol. IUPAC: 4-[(2Z)-2-[(2E)-2-[(3-ethyl-5-methoxy-1,3-benzoselenazol-3-ium-2-yl)methylidene]butylidene]-6-methoxy-5-methyl-1,3-benzothiazol-3-yl]butane-1-sulfonate.
Chemical Property Profile of EINECS 264-472-1
Property Insights of EINECS 264-472-1
The XLogP value of 5.10232 indicates that EINECS 264-472-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.78 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 264-472-1. Following Lipinski's Rule of Five, EINECS 264-472-1 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 264-472-1?
The CAS number of EINECS 264-472-1 is 63815-64-5.
What is the molecular formula of EINECS 264-472-1?
The molecular formula of EINECS 264-472-1 is C28H34N2O5S2Se.
What is the molecular weight of EINECS 264-472-1?
The molecular weight of EINECS 264-472-1 is 622.11 g/mol.
Where can I buy EINECS 264-472-1?
You can request a quote for EINECS 264-472-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 264-472-1?
Yes, KEHONG BIO provides custom synthesis services for EINECS 264-472-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.