ChemDiv1_006889
TL;DR: ChemDiv1_006889 (CAS 347387-23-9) is a chemical compound with molecular formula C22H20N2O6S and molecular weight 440.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]propanoic acid
Also Known As: ChemDiv1_006889, 2-(4-((1-(4-ethoxyphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)propanoic acid, 2-(4-{[(5Z)-1-(4-ETHOXYPHENYL)-4,6-DIOXO-2-SULFANYLIDENE-1,3-DIAZINAN-5-YLIDENE]METHYL}PHENOXY)PROPANOIC ACID, 2-[4-[[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]propanoic acid
| Molecular Formula | C22H20N2O6S |
|---|---|
| Molecular Weight | 440.10 g/mol |
| LogP | 2.7685 |
| Topological Polar Surface Area | 105.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 440.10422 |
| Heavy Atoms | 31 |
| Complexity | 1046.6758 |
Chemical Identifiers
| CAS Number | 347387-23-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(C=C3)OC(C)C(=O)O)C(=O)NC2=S |
Product Overview
ChemDiv1_006889 (CAS 347387-23-9), with molecular formula C22H20N2O6S and molecular weight 440.10 g/mol. IUPAC: 2-[4-[[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]propanoic acid.
Chemical Property Profile of ChemDiv1_006889
Property Insights of ChemDiv1_006889
The XLogP value of 2.7685 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_006889. The TPSA of 105.17 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_006889. Following Lipinski's Rule of Five, ChemDiv1_006889 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_006889?
The CAS number of ChemDiv1_006889 is 347387-23-9.
What is the molecular formula of ChemDiv1_006889?
The molecular formula of ChemDiv1_006889 is C22H20N2O6S.
What is the molecular weight of ChemDiv1_006889?
The molecular weight of ChemDiv1_006889 is 440.10 g/mol.
Where can I buy ChemDiv1_006889?
You can request a quote for ChemDiv1_006889 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006889?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006889 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.