AN-465/41169329
TL;DR: AN-465/41169329 (CAS 445420-48-4) is a chemical compound with molecular formula C18H15IN2O5S and molecular weight 497.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[(2-iodobenzoyl)carbamothioylamino]benzene-1,3-dicarboxylate
Also Known As: AN-465/41169329, dimethyl 5-(3-(2-iodobenzoyl)thioureido)isophthalate, dimethyl 5-({[(2-iodophenyl)carbonyl]carbamothioyl}amino)benzene-1,3-dicarboxylate, dimethyl 5-[(2-iodobenzoyl)carbamothioylamino]benzene-1,3-dicarboxylate, dimethyl 5-({[(2-iodobenzoyl)amino]carbothioyl}amino)isophthalate
| Molecular Formula | C18H15IN2O5S |
|---|---|
| Molecular Weight | 497.97 g/mol |
| LogP | 2.9912 |
| Topological Polar Surface Area | 93.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 497.97464 |
| Heavy Atoms | 27 |
| Complexity | 882.12506 |
Chemical Identifiers
| CAS Number | 445420-48-4 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC=CC=C2I)C(=O)OC |
Product Overview
AN-465/41169329 (CAS 445420-48-4), with molecular formula C18H15IN2O5S and molecular weight 497.97 g/mol. IUPAC: dimethyl 5-[(2-iodobenzoyl)carbamothioylamino]benzene-1,3-dicarboxylate.
Chemical Property Profile of AN-465/41169329
Property Insights of AN-465/41169329
The XLogP value of 2.9912 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-465/41169329. The TPSA of 93.73 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-465/41169329. Following Lipinski's Rule of Five, AN-465/41169329 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 AN-465/41169329?
The CAS number of AN-465/41169329 is 445420-48-4.
What is the molecular formula of AN-465/41169329?
The molecular formula of AN-465/41169329 is C18H15IN2O5S.
What is the molecular weight of AN-465/41169329?
The molecular weight of AN-465/41169329 is 497.97 g/mol.
Where can I buy AN-465/41169329?
You can request a quote for AN-465/41169329 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-465/41169329?
Yes, KEHONG BIO provides custom synthesis services for AN-465/41169329 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.