ChemDiv1_003223
TL;DR: ChemDiv1_003223 (CAS 309925-91-5) is a chemical compound with molecular formula C20H15FN2O6S and molecular weight 430.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[[1-(4-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenoxy]acetic acid
Also Known As: ChemDiv1_003223, 2-(4-((1-(4-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxyphenoxy)acetic acid, 2-[4-[[1-(4-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenoxy]acetic acid
| Molecular Formula | C20H15FN2O6S |
|---|---|
| Molecular Weight | 430.06 g/mol |
| LogP | 2.129 |
| Topological Polar Surface Area | 105.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.06348 |
| Heavy Atoms | 30 |
| Complexity | 1067.4664 |
Chemical Identifiers
| CAS Number | 309925-91-5 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)F)OCC(=O)O |
Product Overview
ChemDiv1_003223 (CAS 309925-91-5), with molecular formula C20H15FN2O6S and molecular weight 430.06 g/mol. IUPAC: 2-[4-[[1-(4-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenoxy]acetic acid.
Chemical Property Profile of ChemDiv1_003223
Property Insights of ChemDiv1_003223
The XLogP value of 2.129 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_003223. The TPSA of 105.17 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003223. Following Lipinski's Rule of Five, ChemDiv1_003223 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 ChemDiv1_003223?
The CAS number of ChemDiv1_003223 is 309925-91-5.
What is the molecular formula of ChemDiv1_003223?
The molecular formula of ChemDiv1_003223 is C20H15FN2O6S.
What is the molecular weight of ChemDiv1_003223?
The molecular weight of ChemDiv1_003223 is 430.06 g/mol.
Where can I buy ChemDiv1_003223?
You can request a quote for ChemDiv1_003223 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003223?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003223 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.