RefChem:415359
TL;DR: RefChem:415359 (CAS 86-63-5) is a chemical compound with molecular formula C18H17N3O7S2 and molecular weight 451.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(4-amino-5-methoxy-2-methylphenyl)diazenyl]naphthalene-1,3-disulfonic acid
Also Known As: 1,3-Naphthalenedisulfonic acid, 7-((4-amino-5-methoxy-2-methylphenyl)azo)-, 1,3-Naphthalenedisulfonic acid, 7-[(4-amino-5-methoxy-2-methylphenyl)azo]-, 7-((4-Amino-5-methoxy-o-tolyl)azo)-1,3-naphthalenedisulfonic acid, 1,3-Naphthalenedisulfonic acid, 7-(2-(4-amino-5-methoxy-2-methylphenyl)diazenyl)-, 1,3-Naphthalenedisulfonic acid, 7-[2-(4-amino-5-methoxy-2-methylphenyl)diazenyl]-
| Molecular Formula | C18H17N3O7S2 |
|---|---|
| Molecular Weight | 451.05 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 185.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 451.05078 |
| Heavy Atoms | 30 |
| Complexity | 837.0 |
Chemical Identifiers
| CAS Number | 86-63-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1N=NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)O)S(=O)(=O)O)OC)N |
| InChIKey | JLVALQOIIVGPBD-UHFFFAOYSA-N |
Product Overview
RefChem:415359 (CAS 86-63-5), with molecular formula C18H17N3O7S2 and molecular weight 451.05 g/mol. IUPAC: 7-[(4-amino-5-methoxy-2-methylphenyl)diazenyl]naphthalene-1,3-disulfonic acid.
Chemical Property Profile of RefChem:415359
Property Insights of RefChem:415359
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:415359. The TPSA of 185.0 Ų indicates high polarity, suggesting RefChem:415359 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:415359 has 3 hydrogen bond donor(s) and 10 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 RefChem:415359?
The CAS number of RefChem:415359 is 86-63-5.
What is the molecular formula of RefChem:415359?
The molecular formula of RefChem:415359 is C18H17N3O7S2.
What is the molecular weight of RefChem:415359?
The molecular weight of RefChem:415359 is 451.05 g/mol.
Where can I buy RefChem:415359?
You can request a quote for RefChem:415359 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:415359?
Yes, KEHONG BIO provides custom synthesis services for RefChem:415359 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.