Pseudourea
TL;DR: Pseudourea (CAS 3063-89-6) is a chemical compound with molecular formula C18H20Cl2N4S2 and molecular weight 426.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[10-(carbamimidoylsulfanylmethyl)anthracen-9-yl]methyl carbamimidothioate;dihydrochloride
Also Known As: Pseudourea, ATPU, 2,2'-(9,10-Anthrylenedimethylene)bis(2-thiopseudourea), Anthracene-9,10-diylbis(methylene)dicarbamimidothioatedihydrochloride, anthracene-9,10-diyldimethanediyl dicarbamimidothioate dihydrochloride
| Molecular Formula | C18H20Cl2N4S2 |
|---|---|
| Molecular Weight | 426.05 g/mol |
| LogP | 5.09 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.05066 |
| Heavy Atoms | 26 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 3063-89-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2CSC(=N)N)CSC(=N)N.Cl.Cl |
| InChIKey | OTUYGJPXSNDMJM-UHFFFAOYSA-N |
Product Overview
Pseudourea (CAS 3063-89-6), with molecular formula C18H20Cl2N4S2 and molecular weight 426.05 g/mol. IUPAC: [10-(carbamimidoylsulfanylmethyl)anthracen-9-yl]methyl carbamimidothioate;dihydrochloride.
Chemical Property Profile of Pseudourea
Property Insights of Pseudourea
The XLogP value of 5.09 indicates that Pseudourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 150.0 Ų indicates high polarity, suggesting Pseudourea may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pseudourea has 6 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pseudourea?
The CAS number of Pseudourea is 3063-89-6.
What is the molecular formula of Pseudourea?
The molecular formula of Pseudourea is C18H20Cl2N4S2.
What is the molecular weight of Pseudourea?
The molecular weight of Pseudourea is 426.05 g/mol.
Where can I buy Pseudourea?
You can request a quote for Pseudourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pseudourea?
Yes, KEHONG BIO provides custom synthesis services for Pseudourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.