5-Phenoxycarbonyloxy-2-formylpyridine thiosemicarbazone
TL;DR: 5-Phenoxycarbonyloxy-2-formylpyridine thiosemicarbazone (CAS 52584-56-2) is a chemical compound with molecular formula C14H12N4O3S and molecular weight 316.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-[(E)-(carbamothioylhydrazinylidene)methyl]-3-pyridinyl] phenyl carbonate
Also Known As: Cid 9567872, 5-Phenoxycarbonyloxy-2-formylpyridine thiosemicarbazone, [6-[(E)-(carbamothioylhydrazinylidene)methyl]pyridin-3-yl] phenyl carbonate, Carbonic acid, 6-(((aminothioxomethyl)hydrazono)methyl)-3-pyridinyl phenyl ester, RefChem:103375
| Molecular Formula | C14H12N4O3S |
|---|---|
| Molecular Weight | 316.06 g/mol |
| LogP | 1.8265 |
| Topological Polar Surface Area | 98.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.06302 |
| Heavy Atoms | 22 |
| Complexity | 674.24713 |
Chemical Identifiers
| CAS Number | 52584-56-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)OC2=CN=C(C=C2)/C=N/NC(=S)N |
Product Overview
5-Phenoxycarbonyloxy-2-formylpyridine thiosemicarbazone (CAS 52584-56-2), with molecular formula C14H12N4O3S and molecular weight 316.06 g/mol. IUPAC: [6-[(E)-(carbamothioylhydrazinylidene)methyl]-3-pyridinyl] phenyl carbonate.
Chemical Property Profile of 5-Phenoxycarbonyloxy-2-formylpyridine thiosemicarbazone
Property Insights of 5-Phenoxycarbonyloxy-2-formylpyridine thiosemicarbazone
The XLogP value of 1.8265 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Phenoxycarbonyloxy-2-formylpyridine thiosemicarbazone. The TPSA of 98.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Phenoxycarbonyloxy-2-formylpyridine thiosemicarbazone. Following Lipinski's Rule of Five, 5-Phenoxycarbonyloxy-2-formylpyridine thiosemicarbazone has 2 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 5-Phenoxycarbonyloxy-2-formylpyridine thiosemicarbazone?
The CAS number of 5-Phenoxycarbonyloxy-2-formylpyridine thiosemicarbazone is 52584-56-2.
What is the molecular formula of 5-Phenoxycarbonyloxy-2-formylpyridine thiosemicarbazone?
The molecular formula of 5-Phenoxycarbonyloxy-2-formylpyridine thiosemicarbazone is C14H12N4O3S.
What is the molecular weight of 5-Phenoxycarbonyloxy-2-formylpyridine thiosemicarbazone?
The molecular weight of 5-Phenoxycarbonyloxy-2-formylpyridine thiosemicarbazone is 316.06 g/mol.
Where can I buy 5-Phenoxycarbonyloxy-2-formylpyridine thiosemicarbazone?
You can request a quote for 5-Phenoxycarbonyloxy-2-formylpyridine thiosemicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Phenoxycarbonyloxy-2-formylpyridine thiosemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for 5-Phenoxycarbonyloxy-2-formylpyridine thiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.