EINECS 245-791-5
TL;DR: EINECS 245-791-5 (CAS 23622-54-0) is a chemical compound with molecular formula C21H21N3O15S4 and molecular weight 682.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetamido-4-hydroxy-3-[[4-methoxy-3-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonic acid
Also Known As: 5-(Acetylamino)-4-hydroxy-3-((4-methoxy-3-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)naphthalene-2,7-disulphonic acid, 2,7-Naphthalenedisulfonicacid,5-(acetylamino)-4-hydroxy-3-[2-[4-methoxy-3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-, (3Z)-5-acetamido-3-[[4-methoxy-3-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid, 5-(acetylamino)-4-hydroxy-3-[[4-methoxy-3-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2,7-disulphonic acid, 5-(Acetylamino)-4-hydroxy-3-[2-[4-methoxy-3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-2,7-naphthalenedisulfonic acid
| Molecular Formula | C21H21N3O15S4 |
|---|---|
| Molecular Weight | 682.99 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 323.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 11 |
| Exact Mass | 682.98553 |
| Heavy Atoms | 43 |
| Complexity | 1460.0 |
Chemical Identifiers
| CAS Number | 23622-54-0 |
|---|---|
| SMILES | CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)O)C=C(C(=C2O)N=NC3=CC(=C(C=C3)OC)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O |
| InChIKey | VZLZQCMLVISMIY-UHFFFAOYSA-N |
Product Overview
EINECS 245-791-5 (CAS 23622-54-0), with molecular formula C21H21N3O15S4 and molecular weight 682.99 g/mol. IUPAC: 5-acetamido-4-hydroxy-3-[[4-methoxy-3-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonic acid.
Chemical Property Profile of EINECS 245-791-5
Property Insights of EINECS 245-791-5
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 245-791-5. The TPSA of 323.0 Ų indicates high polarity, suggesting EINECS 245-791-5 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 245-791-5 has 5 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 245-791-5?
The CAS number of EINECS 245-791-5 is 23622-54-0.
What is the molecular formula of EINECS 245-791-5?
The molecular formula of EINECS 245-791-5 is C21H21N3O15S4.
What is the molecular weight of EINECS 245-791-5?
The molecular weight of EINECS 245-791-5 is 682.99 g/mol.
Where can I buy EINECS 245-791-5?
You can request a quote for EINECS 245-791-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 245-791-5?
Yes, KEHONG BIO provides custom synthesis services for EINECS 245-791-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.