EINECS 249-662-4
TL;DR: EINECS 249-662-4 (CAS 29476-87-7) is a chemical compound with molecular formula C20H20N2O14S4 and molecular weight 639.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-3-[[2-methoxy-5-methyl-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonic acid
Also Known As: 4-Hydroxy-3-((2-methoxy-5-methyl-4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)naphthalene-2,7-disulphonic acid, (3Z)-3-[[2-methoxy-5-methyl-4-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid, 2,7-Naphthalenedisulfonic acid, 4-hydroxy-3-((2-methoxy-5-methyl-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-, 2,7-Naphthalenedisulfonicacid,4-hydroxy-3-[2-[2-methoxy-5-methyl-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-, 4-hydroxy-3-(2-{2-methoxy-5-methyl-4-[2-(sulfooxy)ethanesulfonyl]phenyl}diazen-1-yl)naphthalene-2,7-disulfonic acid
| Molecular Formula | C20H20N2O14S4 |
|---|---|
| Molecular Weight | 639.98 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 294.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 10 |
| Exact Mass | 639.97974 |
| Heavy Atoms | 40 |
| Complexity | 1340.0 |
Chemical Identifiers
| CAS Number | 29476-87-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1S(=O)(=O)CCOS(=O)(=O)O)OC)N=NC2=C(C=C3C=C(C=CC3=C2O)S(=O)(=O)O)S(=O)(=O)O |
| InChIKey | YQBOWOWUYDBPPK-UHFFFAOYSA-N |
Product Overview
EINECS 249-662-4 (CAS 29476-87-7), with molecular formula C20H20N2O14S4 and molecular weight 639.98 g/mol. IUPAC: 4-hydroxy-3-[[2-methoxy-5-methyl-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonic acid.
Chemical Property Profile of EINECS 249-662-4
Property Insights of EINECS 249-662-4
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 249-662-4. The TPSA of 294.0 Ų indicates high polarity, suggesting EINECS 249-662-4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 249-662-4 has 4 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 249-662-4?
The CAS number of EINECS 249-662-4 is 29476-87-7.
What is the molecular formula of EINECS 249-662-4?
The molecular formula of EINECS 249-662-4 is C20H20N2O14S4.
What is the molecular weight of EINECS 249-662-4?
The molecular weight of EINECS 249-662-4 is 639.98 g/mol.
Where can I buy EINECS 249-662-4?
You can request a quote for EINECS 249-662-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 249-662-4?
Yes, KEHONG BIO provides custom synthesis services for EINECS 249-662-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.