AN-465/41169382
TL;DR: AN-465/41169382 (CAS 445420-56-4) is a chemical compound with molecular formula C19H16Cl2N2O6S and molecular weight 470.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[[2-(2,4-dichlorophenoxy)acetyl]carbamothioylamino]benzene-1,3-dicarboxylate
Also Known As: AN-465/41169382, dimethyl 5-[[2-(2,4-dichlorophenoxy)acetyl]carbamothioylamino]benzene-1,3-dicarboxylate, dimethyl 5-(3-(2-(2,4-dichlorophenoxy)acetyl)thioureido)isophthalate, dimethyl 5-[({[(2,4-dichlorophenoxy)acetyl]amino}carbothioyl)amino]isophthalate
| Molecular Formula | C19H16Cl2N2O6S |
|---|---|
| Molecular Weight | 470.01 g/mol |
| LogP | 3.4586 |
| Topological Polar Surface Area | 102.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 470.01062 |
| Heavy Atoms | 30 |
| Complexity | 964.7351 |
Chemical Identifiers
| CAS Number | 445420-56-4 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)NC(=S)NC(=O)COC2=C(C=C(C=C2)Cl)Cl)C(=O)OC |
Product Overview
AN-465/41169382 (CAS 445420-56-4), with molecular formula C19H16Cl2N2O6S and molecular weight 470.01 g/mol. IUPAC: dimethyl 5-[[2-(2,4-dichlorophenoxy)acetyl]carbamothioylamino]benzene-1,3-dicarboxylate.
Chemical Property Profile of AN-465/41169382
Property Insights of AN-465/41169382
The XLogP value of 3.4586 indicates that AN-465/41169382 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.96 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-465/41169382. Following Lipinski's Rule of Five, AN-465/41169382 has 2 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 AN-465/41169382?
The CAS number of AN-465/41169382 is 445420-56-4.
What is the molecular formula of AN-465/41169382?
The molecular formula of AN-465/41169382 is C19H16Cl2N2O6S.
What is the molecular weight of AN-465/41169382?
The molecular weight of AN-465/41169382 is 470.01 g/mol.
Where can I buy AN-465/41169382?
You can request a quote for AN-465/41169382 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-465/41169382?
Yes, KEHONG BIO provides custom synthesis services for AN-465/41169382 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.