AN-465/40809828
TL;DR: AN-465/40809828 (CAS 425628-48-4) is a chemical compound with molecular formula C17H13BrN4O3S2 and molecular weight 463.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-bromophenyl)-5,13-bis(methylsulfanyl)-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,13-tetraene-7,11-dione
Also Known As: AN-465/40809828, 5-(4-bromophenyl)-2,8-bis(methylsulfanyl)-5H-pyrano[2,3-d:6,5-d']dipyrimidine-4,6-diol, 5-(4-bromophenyl)-2,8-bis(methylsulfanyl)-5,7-dihydro-4H-pyrimido[5',4':5,6]pyrano[2,3-d]pyrimidine-4,6(3H)-dione, 5-(4-bromophenyl)-2,8-bis(methylthio)-1H-pyrano[2,3-d:6,5-d']dipyrimidine-4,6(5H,9H)-dione, 5-(4-bromophenyl)-2,8-bis(methylthio)-5,7-dihydro-4H-pyrimido[5',4':5,6]pyrano[2,3-d]pyrimidine-4,6(3H)-dione
| Molecular Formula | C17H13BrN4O3S2 |
|---|---|
| Molecular Weight | 463.96 g/mol |
| LogP | 3.3454 |
| Topological Polar Surface Area | 100.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 463.96124 |
| Heavy Atoms | 27 |
| Complexity | 1076.896 |
Chemical Identifiers
| CAS Number | 425628-48-4 |
|---|---|
| SMILES | CSC1=NC2=C(C(C3=C(O2)N=C(NC3=O)SC)C4=CC=C(C=C4)Br)C(=O)N1 |
Product Overview
AN-465/40809828 (CAS 425628-48-4), with molecular formula C17H13BrN4O3S2 and molecular weight 463.96 g/mol. IUPAC: 9-(4-bromophenyl)-5,13-bis(methylsulfanyl)-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,13-tetraene-7,11-dione.
Chemical Property Profile of AN-465/40809828
Property Insights of AN-465/40809828
The XLogP value of 3.3454 indicates that AN-465/40809828 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.73 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-465/40809828. Following Lipinski's Rule of Five, AN-465/40809828 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-465/40809828?
The CAS number of AN-465/40809828 is 425628-48-4.
What is the molecular formula of AN-465/40809828?
The molecular formula of AN-465/40809828 is C17H13BrN4O3S2.
What is the molecular weight of AN-465/40809828?
The molecular weight of AN-465/40809828 is 463.96 g/mol.
Where can I buy AN-465/40809828?
You can request a quote for AN-465/40809828 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-465/40809828?
Yes, KEHONG BIO provides custom synthesis services for AN-465/40809828 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.