Phtiobuzone
TL;DR: Phtiobuzone (CAS 79512-50-8) is a chemical compound with molecular formula C14H15N7O2S2 and molecular weight 377.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[1-(carbamothioylhydrazinylidene)-3-(1,3-dioxoisoindol-2-yl)butan-2-ylidene]amino]thiourea
Also Known As: Ftibamzone, Phthiobuzone, Phtiobuzone, Tai-ding-an, PHTHIOBUZONE [WHO-DD]
| Molecular Formula | C14H15N7O2S2 |
|---|---|
| Molecular Weight | 377.07 g/mol |
| LogP | -0.3207 |
| Topological Polar Surface Area | 138.2 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.07288 |
| Heavy Atoms | 25 |
| Complexity | 771.12494 |
Chemical Identifiers
| CAS Number | 79512-50-8 |
|---|---|
| SMILES | CC(C(=NNC(=S)N)C=NNC(=S)N)N1C(=O)C2=CC=CC=C2C1=O |
Product Overview
Phtiobuzone (CAS 79512-50-8), with molecular formula C14H15N7O2S2 and molecular weight 377.07 g/mol. IUPAC: [[1-(carbamothioylhydrazinylidene)-3-(1,3-dioxoisoindol-2-yl)butan-2-ylidene]amino]thiourea.
Chemical Property Profile of Phtiobuzone
Property Insights of Phtiobuzone
The XLogP value of -0.3207 indicates that Phtiobuzone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 138.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Phtiobuzone. Following Lipinski's Rule of Five, Phtiobuzone has 4 hydrogen bond donor(s) and 6 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 Phtiobuzone?
The CAS number of Phtiobuzone is 79512-50-8.
What is the molecular formula of Phtiobuzone?
The molecular formula of Phtiobuzone is C14H15N7O2S2.
What is the molecular weight of Phtiobuzone?
The molecular weight of Phtiobuzone is 377.07 g/mol.
Where can I buy Phtiobuzone?
You can request a quote for Phtiobuzone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phtiobuzone?
Yes, KEHONG BIO provides custom synthesis services for Phtiobuzone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.