AN-465/41169324
TL;DR: AN-465/41169324 (CAS 445420-47-3) is a chemical compound with molecular formula C18H15BrN2O5S and molecular weight 449.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[(2-bromobenzoyl)carbamothioylamino]benzene-1,3-dicarboxylate
Also Known As: AN-465/41169324, dimethyl 5-(3-(2-bromobenzoyl)thioureido)isophthalate, dimethyl 5-({[(2-bromophenyl)carbonyl]carbamothioyl}amino)benzene-1,3-dicarboxylate, dimethyl 5-[(2-bromobenzoyl)carbamothioylamino]benzene-1,3-dicarboxylate, dimethyl 5-({[(2-bromobenzoyl)amino]carbothioyl}amino)isophthalate
| Molecular Formula | C18H15BrN2O5S |
|---|---|
| Molecular Weight | 449.99 g/mol |
| LogP | 3.1491 |
| Topological Polar Surface Area | 93.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 449.9885 |
| Heavy Atoms | 27 |
| Complexity | 882.12506 |
Chemical Identifiers
| CAS Number | 445420-47-3 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC=CC=C2Br)C(=O)OC |
Product Overview
AN-465/41169324 (CAS 445420-47-3), with molecular formula C18H15BrN2O5S and molecular weight 449.99 g/mol. IUPAC: dimethyl 5-[(2-bromobenzoyl)carbamothioylamino]benzene-1,3-dicarboxylate.
Chemical Property Profile of AN-465/41169324
Property Insights of AN-465/41169324
The XLogP value of 3.1491 indicates that AN-465/41169324 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.73 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-465/41169324. Following Lipinski's Rule of Five, AN-465/41169324 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-465/41169324?
The CAS number of AN-465/41169324 is 445420-47-3.
What is the molecular formula of AN-465/41169324?
The molecular formula of AN-465/41169324 is C18H15BrN2O5S.
What is the molecular weight of AN-465/41169324?
The molecular weight of AN-465/41169324 is 449.99 g/mol.
Where can I buy AN-465/41169324?
You can request a quote for AN-465/41169324 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-465/41169324?
Yes, KEHONG BIO provides custom synthesis services for AN-465/41169324 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.