ChemDiv1_006127
TL;DR: ChemDiv1_006127 (CAS 333319-06-5) is a chemical compound with molecular formula C22H19N3O4S and molecular weight 421.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: ChemDiv1_006127, AM-900/14781020, 5-({1-[2-(2-methoxyphenoxy)ethyl]-1H-indol-3-yl}methylene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione, 5-({1-[2-(2-methoxyphenoxy)ethyl]-1H-indol-3-yl}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5Z)-6-hydroxy-5-({1-[2-(2-methoxyphenoxy)ethyl]-1H-indol-3-yl}methylidene)-2-sulfanylpyrimidin-4(5H)-one
| Molecular Formula | C22H19N3O4S |
|---|---|
| Molecular Weight | 421.11 g/mol |
| LogP | 2.6432 |
| Topological Polar Surface Area | 81.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 421.10962 |
| Heavy Atoms | 30 |
| Complexity | 1160.0942 |
Chemical Identifiers
| CAS Number | 333319-06-5 |
|---|---|
| SMILES | COC1=CC=CC=C1OCCN2C=C(C3=CC=CC=C32)C=C4C(=O)NC(=S)NC4=O |
Product Overview
ChemDiv1_006127 (CAS 333319-06-5), with molecular formula C22H19N3O4S and molecular weight 421.11 g/mol. IUPAC: 5-[[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of ChemDiv1_006127
Property Insights of ChemDiv1_006127
The XLogP value of 2.6432 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_006127. The TPSA of 81.59 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_006127. Following Lipinski's Rule of Five, ChemDiv1_006127 has 2 hydrogen bond donor(s) and 5 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_006127?
The CAS number of ChemDiv1_006127 is 333319-06-5.
What is the molecular formula of ChemDiv1_006127?
The molecular formula of ChemDiv1_006127 is C22H19N3O4S.
What is the molecular weight of ChemDiv1_006127?
The molecular weight of ChemDiv1_006127 is 421.11 g/mol.
Where can I buy ChemDiv1_006127?
You can request a quote for ChemDiv1_006127 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006127?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006127 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.