4-乙基没食子酸
TL;DR: 4-乙基没食子酸 (CAS 117824-01-8) is a chemical compound with molecular formula C16H19N8O4PS2 and molecular weight 482.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-乙基没食子酸
1-[ethoxy-[(pyridine-4-carbonylamino)carbamothioylamino]phosphoryl]-3-(pyridine-4-carbonylamino)thiourea
Also Known As: 4-ethylgallic acid, 1-[ethoxy-[(pyridine-4-carbonylamino)carbamothioylamino]phosphoryl]-3-(pyridine-4-carbonylamino)thiourea, 1-[ethoxy-[(pyridine-4-carbonylamino)carbamothioylamino]phos, Ethyl N,N'-bis[(2-isonicotinoylhydrazino)carbonothioyl]diamidophosphate, Ethyl N,N'-bis[2-(pyridine-4-carbonyl)hydrazine-1-carbothioyl]phosphorodiamidate
| Molecular Formula | C16H19N8O4PS2 |
|---|---|
| Molecular Weight | 482.07 g/mol |
| LogP | 0.5392 |
| Topological Polar Surface Area | 158.4 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 482.07083 |
| Heavy Atoms | 31 |
| Complexity | 906.5984 |
Chemical Identifiers
| CAS Number | 117824-01-8 |
|---|---|
| SMILES | CCOP(=O)(NC(=S)NNC(=O)C1=CC=NC=C1)NC(=S)NNC(=O)C2=CC=NC=C2 |
Product Overview
4-乙基没食子酸 (CAS 117824-01-8), with molecular formula C16H19N8O4PS2 and molecular weight 482.07 g/mol. IUPAC: 1-[ethoxy-[(pyridine-4-carbonylamino)carbamothioylamino]phosphoryl]-3-(pyridine-4-carbonylamino)thiourea.
Chemical Property Profile of 4-乙基没食子酸
Property Insights of 4-乙基没食子酸
The XLogP value of 0.5392 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-乙基没食子酸. The TPSA of 158.4 Ų indicates high polarity, suggesting 4-乙基没食子酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-乙基没食子酸 has 6 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 4-乙基没食子酸?
The CAS number of 4-乙基没食子酸 is 117824-01-8.
What is the molecular formula of 4-乙基没食子酸?
The molecular formula of 4-乙基没食子酸 is C16H19N8O4PS2.
What is the molecular weight of 4-乙基没食子酸?
The molecular weight of 4-乙基没食子酸 is 482.07 g/mol.
Where can I buy 4-乙基没食子酸?
You can request a quote for 4-乙基没食子酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-乙基没食子酸?
Yes, KEHONG BIO provides custom synthesis services for 4-乙基没食子酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.