ChemDiv1_003271
TL;DR: ChemDiv1_003271 (CAS 5957-90-4) is a chemical compound with molecular formula C24H24N2O6S and molecular weight 468.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-[[4,6-dioxo-1-(4-propan-2-ylphenyl)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenoxy]acetate
Also Known As: ChemDiv1_003271, methyl 2-[4-[(E)-[4,6-dioxo-1-(4-propan-2-ylphenyl)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxy-phenoxy]acetate, methyl 2-[4-[[4,6-dioxo-1-(4-propan-2-ylphenyl)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenoxy]acetate
| Molecular Formula | C24H24N2O6S |
|---|---|
| Molecular Weight | 468.14 g/mol |
| LogP | 3.2017 |
| Topological Polar Surface Area | 94.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 468.1355 |
| Heavy Atoms | 33 |
| Complexity | 1124.2744 |
Chemical Identifiers
| CAS Number | 5957-90-4 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC(=O)OC)OC)C(=O)NC2=S |
Product Overview
ChemDiv1_003271 (CAS 5957-90-4), with molecular formula C24H24N2O6S and molecular weight 468.14 g/mol. IUPAC: methyl 2-[4-[[4,6-dioxo-1-(4-propan-2-ylphenyl)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenoxy]acetate.
Chemical Property Profile of ChemDiv1_003271
Property Insights of ChemDiv1_003271
The XLogP value of 3.2017 indicates that ChemDiv1_003271 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.17 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003271. Following Lipinski's Rule of Five, ChemDiv1_003271 has 1 hydrogen bond donor(s) and 7 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_003271?
The CAS number of ChemDiv1_003271 is 5957-90-4.
What is the molecular formula of ChemDiv1_003271?
The molecular formula of ChemDiv1_003271 is C24H24N2O6S.
What is the molecular weight of ChemDiv1_003271?
The molecular weight of ChemDiv1_003271 is 468.14 g/mol.
Where can I buy ChemDiv1_003271?
You can request a quote for ChemDiv1_003271 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003271?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003271 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.