4,4'-Dihydroxy-7,7'-ureylenedi(naphthalene-2-sulphonic acid)
TL;DR: 4,4'-Dihydroxy-7,7'-ureylenedi(naphthalene-2-sulphonic acid) (CAS 134-47-4) is a chemical compound with molecular formula C21H16N2O9S2 and molecular weight 504.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-7-[(5-hydroxy-7-sulfonaphthalen-2-yl)carbamoylamino]naphthalene-2-sulfonic acid
Also Known As: J Acid urea, Urea J Acid, Carbonyl J Acid, Scarlet Acid, AMI-1 free acid
| Molecular Formula | C21H16N2O9S2 |
|---|---|
| Molecular Weight | 504.03 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 207.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 504.02972 |
| Heavy Atoms | 34 |
| Complexity | 886.0 |
Chemical Identifiers
| CAS Number | 134-47-4 |
|---|---|
| SMILES | C1=CC2=C(C=C(C=C2C=C1NC(=O)NC3=CC4=CC(=CC(=C4C=C3)O)S(=O)(=O)O)S(=O)(=O)O)O |
| InChIKey | PCGISRHGYLRXSR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4'-Dihydroxy-7,7'-ureylenedi(naphthalene-2-sulphonic acid) (CAS 134-47-4), with molecular formula C21H16N2O9S2 and molecular weight 504.03 g/mol. IUPAC: 4-hydroxy-7-[(5-hydroxy-7-sulfonaphthalen-2-yl)carbamoylamino]naphthalene-2-sulfonic acid.
Chemical Property Profile of 4,4'-Dihydroxy-7,7'-ureylenedi(naphthalene-2-sulphonic acid)
Property Insights of 4,4'-Dihydroxy-7,7'-ureylenedi(naphthalene-2-sulphonic acid)
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4'-Dihydroxy-7,7'-ureylenedi(naphthalene-2-sulphonic acid). The TPSA of 207.0 Ų indicates high polarity, suggesting 4,4'-Dihydroxy-7,7'-ureylenedi(naphthalene-2-sulphonic acid) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,4'-Dihydroxy-7,7'-ureylenedi(naphthalene-2-sulphonic acid) has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,4'-Dihydroxy-7,7'-ureylenedi(naphthalene-2-sulphonic acid)?
The CAS number of 4,4'-Dihydroxy-7,7'-ureylenedi(naphthalene-2-sulphonic acid) is 134-47-4.
What is the molecular formula of 4,4'-Dihydroxy-7,7'-ureylenedi(naphthalene-2-sulphonic acid)?
The molecular formula of 4,4'-Dihydroxy-7,7'-ureylenedi(naphthalene-2-sulphonic acid) is C21H16N2O9S2.
What is the molecular weight of 4,4'-Dihydroxy-7,7'-ureylenedi(naphthalene-2-sulphonic acid)?
The molecular weight of 4,4'-Dihydroxy-7,7'-ureylenedi(naphthalene-2-sulphonic acid) is 504.03 g/mol.
Where can I buy 4,4'-Dihydroxy-7,7'-ureylenedi(naphthalene-2-sulphonic acid)?
You can request a quote for 4,4'-Dihydroxy-7,7'-ureylenedi(naphthalene-2-sulphonic acid) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-Dihydroxy-7,7'-ureylenedi(naphthalene-2-sulphonic acid)?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Dihydroxy-7,7'-ureylenedi(naphthalene-2-sulphonic acid) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.