RefChem:417351
TL;DR: RefChem:417351 (CAS 67990-37-8) is a chemical compound with molecular formula C20H12CaN2O7S2 and molecular weight 495.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium 2-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1,5-disulfonate
Also Known As: 1,5-Naphthalenedisulfonic acid, 2-[(2-hydroxy-1-naphthalenyl)azo]-, calcium salt (1:1), Calcium 2-((2-hydroxynaphthyl)azo)naphthalene-1,5-disulphonate, 1,5-Naphthalenedisulfonic acid, 2-((2-hydroxy-1-naphthalenyl)azo)-, calcium salt (1:1), 1,5-Naphthalenedisulfonic acid, 2-(2-(2-hydroxy-1-naphthalenyl)diazenyl)-, calcium salt (1:1), Calcium 2-[(2-hydroxynaphthyl)azo]naphthalene-1,5-disulfonate
| Molecular Formula | C20H12CaN2O7S2 |
|---|---|
| Molecular Weight | 495.97 g/mol |
| LogP | 3.54 |
| Topological Polar Surface Area | 176.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 495.9712 |
| Heavy Atoms | 32 |
| Complexity | 854.0 |
Chemical Identifiers
| CAS Number | 67990-37-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C4=C(C=C3)C(=CC=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Ca+2] |
| InChIKey | ROLPDLQXTOHSIJ-UHFFFAOYSA-L |
Product Overview
RefChem:417351 (CAS 67990-37-8), with molecular formula C20H12CaN2O7S2 and molecular weight 495.97 g/mol. IUPAC: calcium 2-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1,5-disulfonate.
Chemical Property Profile of RefChem:417351
Property Insights of RefChem:417351
The XLogP value of 3.54 indicates that RefChem:417351 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 176.0 Ų indicates high polarity, suggesting RefChem:417351 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:417351 has 1 hydrogen bond donor(s) and 9 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:417351?
The CAS number of RefChem:417351 is 67990-37-8.
What is the molecular formula of RefChem:417351?
The molecular formula of RefChem:417351 is C20H12CaN2O7S2.
What is the molecular weight of RefChem:417351?
The molecular weight of RefChem:417351 is 495.97 g/mol.
Where can I buy RefChem:417351?
You can request a quote for RefChem:417351 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:417351?
Yes, KEHONG BIO provides custom synthesis services for RefChem:417351 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.