EINECS 263-301-8
TL;DR: EINECS 263-301-8 (CAS 61891-06-3) is a chemical compound with molecular formula C34H32N2O4S2 and molecular weight 596.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2Z)-2-[(2Z)-2-[(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylidene]butylidene]-5-phenyl-1,3-benzoxazol-3-yl]butane-2-sulfonate
Also Known As: EINECS 263-301-8, 1-Methyl-2-(2-((5-phenyl-3-(3-sulphonatobutyl)-3H-benzoxazol-2-ylidene)methyl)-1-butenyl)naphtho(1,2-d)thiazolium, 4-[(2Z)-2-[(2Z)-2-[(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylidene]butylidene]-5-phenyl-1,3-benzoxazol-3-yl]butane-2-sulfonate, 4-[2-[2-[(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylidene]butylidene]-5-phenyl-1,3-benzoxazol-3-yl]butane-2-sulfonate, Naphtho[1,2-d]thiazolium,1-methyl-2-[2-[[5-phenyl-3-(3-sulfobutyl)-2(3H)-benzoxazolylidene]methyl]-1-buten-1-yl]-,inner salt
| Molecular Formula | C34H32N2O4S2 |
|---|---|
| Molecular Weight | 596.18 g/mol |
| LogP | 7.4036 |
| Topological Polar Surface Area | 73.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 596.18036 |
| Heavy Atoms | 42 |
| Complexity | 1960.3611 |
Chemical Identifiers
| CAS Number | 61891-06-3 |
|---|---|
| SMILES | CC/C(=C/C1=[N+](C2=C(S1)C=CC3=CC=CC=C32)C)/C=C\4/N(C5=C(O4)C=CC(=C5)C6=CC=CC=C6)CCC(C)S(=O)(=O)[O-] |
Product Overview
EINECS 263-301-8 (CAS 61891-06-3), with molecular formula C34H32N2O4S2 and molecular weight 596.18 g/mol. IUPAC: 4-[(2Z)-2-[(2Z)-2-[(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylidene]butylidene]-5-phenyl-1,3-benzoxazol-3-yl]butane-2-sulfonate.
Chemical Property Profile of EINECS 263-301-8
Property Insights of EINECS 263-301-8
The XLogP value of 7.4036 indicates that EINECS 263-301-8 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.55 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 263-301-8. Following Lipinski's Rule of Five, EINECS 263-301-8 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 263-301-8?
The CAS number of EINECS 263-301-8 is 61891-06-3.
What is the molecular formula of EINECS 263-301-8?
The molecular formula of EINECS 263-301-8 is C34H32N2O4S2.
What is the molecular weight of EINECS 263-301-8?
The molecular weight of EINECS 263-301-8 is 596.18 g/mol.
Where can I buy EINECS 263-301-8?
You can request a quote for EINECS 263-301-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 263-301-8?
Yes, KEHONG BIO provides custom synthesis services for EINECS 263-301-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.