BIM-0046557.P001
TL;DR: BIM-0046557.P001 (CAS 355824-50-9) is a chemical compound with molecular formula C21H23N7O3S2 and molecular weight 485.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-methoxyanilino)-6-(3-nitroanilino)-1,3,5-triazin-2-yl] N,N-diethylcarbamodithioate
Also Known As: BIM-0046557.P001, 4-[(4-methoxyphenyl)amino]-6-[(3-nitrophenyl)amino]-1,3,5-triazin-2-yl diethylcarbamodithioate, [4-(4-methoxyanilino)-6-(3-nitroanilino)-1,3,5-triazin-2-yl] N,N-diethylcarbamodithioate, (diethylamino){6-[(4-methoxyphenyl)amino]-4-[(3-nitrophenyl)amino](1,3,5-triaz in-2-yl)thio}methane-1-thione, 4-((4-methoxyphenyl)amino)-6-((3-nitrophenyl)amino)-1,3,5-triazin-2-yl diethylcarbamodithioate
| Molecular Formula | C21H23N7O3S2 |
|---|---|
| Molecular Weight | 485.13 g/mol |
| LogP | 4.9944 |
| Topological Polar Surface Area | 118.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 485.13037 |
| Heavy Atoms | 33 |
| Complexity | 1125.0961 |
Chemical Identifiers
| CAS Number | 355824-50-9 |
|---|---|
| SMILES | CCN(CC)C(=S)SC1=NC(=NC(=N1)NC2=CC(=CC=C2)[N+](=O)[O-])NC3=CC=C(C=C3)OC |
Product Overview
BIM-0046557.P001 (CAS 355824-50-9), with molecular formula C21H23N7O3S2 and molecular weight 485.13 g/mol. IUPAC: [4-(4-methoxyanilino)-6-(3-nitroanilino)-1,3,5-triazin-2-yl] N,N-diethylcarbamodithioate.
Chemical Property Profile of BIM-0046557.P001
Property Insights of BIM-0046557.P001
The XLogP value of 4.9944 indicates that BIM-0046557.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.34 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0046557.P001. Following Lipinski's Rule of Five, BIM-0046557.P001 has 2 hydrogen bond donor(s) and 10 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 BIM-0046557.P001?
The CAS number of BIM-0046557.P001 is 355824-50-9.
What is the molecular formula of BIM-0046557.P001?
The molecular formula of BIM-0046557.P001 is C21H23N7O3S2.
What is the molecular weight of BIM-0046557.P001?
The molecular weight of BIM-0046557.P001 is 485.13 g/mol.
Where can I buy BIM-0046557.P001?
You can request a quote for BIM-0046557.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0046557.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0046557.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.