Pseudourea, 2-(2-phenylcarbamoylethyl)-2-thio-, p-toluenesulfonate
TL;DR: Pseudourea, 2-(2-phenylcarbamoylethyl)-2-thio-, p-toluenesulfonate (CAS 73840-09-2) is a chemical compound with molecular formula C17H21N3O4S2 and molecular weight 395.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-anilino-3-oxopropyl) carbamimidothioate;4-methylbenzenesulfonic acid
Also Known As: Pseudourea, 2-(2-phenylcarbamoylethyl)-2-thio-, p-toluenesulfonate, 2-(2-Phenylcarbamoylethyl)-2-thiopseudourea p-toluenesulfonate, (3-anilino-3-oxopropyl) carbamimidothioate; 4-methylbenzenesulfonic acid, 4-Methylbenzene-1-sulfonic acid--3-anilino-3-oxopropyl carbamimidothioate (1/1), Carbamimidothioic acid, 3-oxo-3-(phenylamino)propyl ester, mono(4-methylbenzenesulfonate)
| Molecular Formula | C17H21N3O4S2 |
|---|---|
| Molecular Weight | 395.10 g/mol |
| LogP | 2.88359 |
| Topological Polar Surface Area | 133.34 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.09735 |
| Heavy Atoms | 26 |
| Complexity | 822.8463 |
Chemical Identifiers
| CAS Number | 73840-09-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)NC(=O)CCSC(=N)N |
Product Overview
Pseudourea, 2-(2-phenylcarbamoylethyl)-2-thio-, p-toluenesulfonate (CAS 73840-09-2), with molecular formula C17H21N3O4S2 and molecular weight 395.10 g/mol. IUPAC: (3-anilino-3-oxopropyl) carbamimidothioate;4-methylbenzenesulfonic acid.
Chemical Property Profile of Pseudourea, 2-(2-phenylcarbamoylethyl)-2-thio-, p-toluenesulfonate
Property Insights of Pseudourea, 2-(2-phenylcarbamoylethyl)-2-thio-, p-toluenesulfonate
The XLogP value of 2.88359 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pseudourea, 2-(2-phenylcarbamoylethyl)-2-thio-, p-toluenesulfonate. The TPSA of 133.34 Ų falls within the moderate polarity range, balancing permeability and solubility for Pseudourea, 2-(2-phenylcarbamoylethyl)-2-thio-, p-toluenesulfonate. Following Lipinski's Rule of Five, Pseudourea, 2-(2-phenylcarbamoylethyl)-2-thio-, p-toluenesulfonate has 4 hydrogen bond donor(s) and 5 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 Pseudourea, 2-(2-phenylcarbamoylethyl)-2-thio-, p-toluenesulfonate?
The CAS number of Pseudourea, 2-(2-phenylcarbamoylethyl)-2-thio-, p-toluenesulfonate is 73840-09-2.
What is the molecular formula of Pseudourea, 2-(2-phenylcarbamoylethyl)-2-thio-, p-toluenesulfonate?
The molecular formula of Pseudourea, 2-(2-phenylcarbamoylethyl)-2-thio-, p-toluenesulfonate is C17H21N3O4S2.
What is the molecular weight of Pseudourea, 2-(2-phenylcarbamoylethyl)-2-thio-, p-toluenesulfonate?
The molecular weight of Pseudourea, 2-(2-phenylcarbamoylethyl)-2-thio-, p-toluenesulfonate is 395.10 g/mol.
Where can I buy Pseudourea, 2-(2-phenylcarbamoylethyl)-2-thio-, p-toluenesulfonate?
You can request a quote for Pseudourea, 2-(2-phenylcarbamoylethyl)-2-thio-, p-toluenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pseudourea, 2-(2-phenylcarbamoylethyl)-2-thio-, p-toluenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Pseudourea, 2-(2-phenylcarbamoylethyl)-2-thio-, p-toluenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.