EINECS 268-719-4
TL;DR: EINECS 268-719-4 (CAS 68133-97-1) is a chemical compound with molecular formula C23H20N2O6 and molecular weight 420.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[(E)-3-[3-(2-carboxylatoethyl)-1,3-benzoxazol-3-ium-2-yl]prop-2-enyl]-1,3-benzoxazol-3-ium-3-yl]propanoate
Also Known As: EINECS 268-719-4, Anhydro-3,3'-bis(beta-carboxyethyl)-2,2'-oxacarbocyanine hydroxide, Benzoxazolium, 3-(2-carboxyethyl)-2-(3-(3-(2-carboxyethyl)-2(3H)-benzoxazolylidene)-1-propen-1-yl)-, inner salt, Benzoxazolium, 3-(2-carboxyethyl)-2-(3-(3-(2-carboxyethyl)-2(3H)-benzoxazolylidene)-1-propenyl)-, inner salt, HYDROGEN 3-(2-CARBOXYLATOETHYL)-2-[3-[3-(2-CARBOXYLATOETHYL)-3H-BENZOXAZOL-2-YLIDENE]PROP-1-ENYL]BENZOXAZOLIUM
| Molecular Formula | C23H20N2O6 |
|---|---|
| Molecular Weight | 420.13 g/mol |
| LogP | 0.2899 |
| Topological Polar Surface Area | 114.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 420.13214 |
| Heavy Atoms | 31 |
| Complexity | 1283.9523 |
Chemical Identifiers
| CAS Number | 68133-97-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)[N+](=C(O2)C/C=C/C3=[N+](C4=CC=CC=C4O3)CCC(=O)[O-])CCC(=O)[O-] |
Product Overview
EINECS 268-719-4 (CAS 68133-97-1), with molecular formula C23H20N2O6 and molecular weight 420.13 g/mol. IUPAC: 3-[2-[(E)-3-[3-(2-carboxylatoethyl)-1,3-benzoxazol-3-ium-2-yl]prop-2-enyl]-1,3-benzoxazol-3-ium-3-yl]propanoate.
Chemical Property Profile of EINECS 268-719-4
Property Insights of EINECS 268-719-4
The XLogP value of 0.2899 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 268-719-4. The TPSA of 114.3 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 268-719-4. Following Lipinski's Rule of Five, EINECS 268-719-4 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 268-719-4?
The CAS number of EINECS 268-719-4 is 68133-97-1.
What is the molecular formula of EINECS 268-719-4?
The molecular formula of EINECS 268-719-4 is C23H20N2O6.
What is the molecular weight of EINECS 268-719-4?
The molecular weight of EINECS 268-719-4 is 420.13 g/mol.
Where can I buy EINECS 268-719-4?
You can request a quote for EINECS 268-719-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 268-719-4?
Yes, KEHONG BIO provides custom synthesis services for EINECS 268-719-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.