1,5-Naphthalenedisulfonic acid, 3-(3-(p-butoxyphenyl)-2-thioureido)-, disodium salt
TL;DR: 1,5-Naphthalenedisulfonic acid, 3-(3-(p-butoxyphenyl)-2-thioureido)-, disodium salt (CAS 37556-91-5) is a chemical compound with molecular formula C21H20N2Na2O7S3 and molecular weight 554.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;7-[(4-butoxyphenyl)carbamothioylamino]naphthalene-1,3-disulfonate
Also Known As: 1,5-Naphthalenedisulfonic acid, 3-(3-(p-butoxyphenyl)-2-thioureido)-, disodium salt, 3-(3-(p-Butoxyphenyl)-2-thioureido)-1,5-naphthalenedisulfonic acid disodium salt, disodium 7-[(4-butoxyphenyl)carbamothioylamino]naphthalene-1,3-disulfonate, Disodium 7-{[(4-butoxyphenyl)carbamothioyl]amino}naphthalene-1,3-disulfonate, RefChem:221416
| Molecular Formula | C21H20N2Na2O7S3 |
|---|---|
| Molecular Weight | 554.02 g/mol |
| LogP | -2.3562 |
| Topological Polar Surface Area | 147.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 554.0228 |
| Heavy Atoms | 35 |
| Complexity | 1398.4354 |
Chemical Identifiers
| CAS Number | 37556-91-5 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)NC(=S)NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] |
Product Overview
1,5-Naphthalenedisulfonic acid, 3-(3-(p-butoxyphenyl)-2-thioureido)-, disodium salt (CAS 37556-91-5), with molecular formula C21H20N2Na2O7S3 and molecular weight 554.02 g/mol. IUPAC: disodium;7-[(4-butoxyphenyl)carbamothioylamino]naphthalene-1,3-disulfonate.
Chemical Property Profile of 1,5-Naphthalenedisulfonic acid, 3-(3-(p-butoxyphenyl)-2-thioureido)-, disodium salt
Property Insights of 1,5-Naphthalenedisulfonic acid, 3-(3-(p-butoxyphenyl)-2-thioureido)-, disodium salt
The XLogP value of -2.3562 indicates that 1,5-Naphthalenedisulfonic acid, 3-(3-(p-butoxyphenyl)-2-thioureido)-, disodium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 147.69 Ų indicates high polarity, suggesting 1,5-Naphthalenedisulfonic acid, 3-(3-(p-butoxyphenyl)-2-thioureido)-, disodium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,5-Naphthalenedisulfonic acid, 3-(3-(p-butoxyphenyl)-2-thioureido)-, disodium salt has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,5-Naphthalenedisulfonic acid, 3-(3-(p-butoxyphenyl)-2-thioureido)-, disodium salt?
The CAS number of 1,5-Naphthalenedisulfonic acid, 3-(3-(p-butoxyphenyl)-2-thioureido)-, disodium salt is 37556-91-5.
What is the molecular formula of 1,5-Naphthalenedisulfonic acid, 3-(3-(p-butoxyphenyl)-2-thioureido)-, disodium salt?
The molecular formula of 1,5-Naphthalenedisulfonic acid, 3-(3-(p-butoxyphenyl)-2-thioureido)-, disodium salt is C21H20N2Na2O7S3.
What is the molecular weight of 1,5-Naphthalenedisulfonic acid, 3-(3-(p-butoxyphenyl)-2-thioureido)-, disodium salt?
The molecular weight of 1,5-Naphthalenedisulfonic acid, 3-(3-(p-butoxyphenyl)-2-thioureido)-, disodium salt is 554.02 g/mol.
Where can I buy 1,5-Naphthalenedisulfonic acid, 3-(3-(p-butoxyphenyl)-2-thioureido)-, disodium salt?
You can request a quote for 1,5-Naphthalenedisulfonic acid, 3-(3-(p-butoxyphenyl)-2-thioureido)-, disodium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Naphthalenedisulfonic acid, 3-(3-(p-butoxyphenyl)-2-thioureido)-, disodium salt?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Naphthalenedisulfonic acid, 3-(3-(p-butoxyphenyl)-2-thioureido)-, disodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.