AB00116221-01
TL;DR: AB00116221-01 (CAS 431918-89-7) is a chemical compound with molecular formula C20H20N4O3S and molecular weight 396.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,4-dimethylphenyl)-6-methyl-4-(4-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
Also Known As: AB00116221-01, N-(2,4-dimethylphenyl)-6-methyl-4-(4-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide, N-(2,4-dimethylphenyl)-6-methyl-4-(4-nitrophenyl)-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
| Molecular Formula | C20H20N4O3S |
|---|---|
| Molecular Weight | 396.13 g/mol |
| LogP | 3.64314 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.1256 |
| Heavy Atoms | 28 |
| Complexity | 999.01044 |
Chemical Identifiers
| CAS Number | 431918-89-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(=O)C2=C(NC(=S)NC2C3=CC=C(C=C3)[N+](=O)[O-])C)C |
Product Overview
AB00116221-01 (CAS 431918-89-7), with molecular formula C20H20N4O3S and molecular weight 396.13 g/mol. IUPAC: N-(2,4-dimethylphenyl)-6-methyl-4-(4-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of AB00116221-01
Property Insights of AB00116221-01
The XLogP value of 3.64314 indicates that AB00116221-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00116221-01. Following Lipinski's Rule of Five, AB00116221-01 has 3 hydrogen bond donor(s) and 4 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 AB00116221-01?
The CAS number of AB00116221-01 is 431918-89-7.
What is the molecular formula of AB00116221-01?
The molecular formula of AB00116221-01 is C20H20N4O3S.
What is the molecular weight of AB00116221-01?
The molecular weight of AB00116221-01 is 396.13 g/mol.
Where can I buy AB00116221-01?
You can request a quote for AB00116221-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00116221-01?
Yes, KEHONG BIO provides custom synthesis services for AB00116221-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.