AB00114272-01
TL;DR: AB00114272-01 (CAS 431065-95-1) is a chemical compound with molecular formula C21H23N3OS and molecular weight 365.16 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-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
Also Known As: AB00114272-01, AB01331415-02, N-(2,4-dimethylphenyl)-6-methyl-4-(4-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide, N-(2,4-Dimethylphenyl)-6-methyl-2-thioxo-4-(p-tolyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide, N-(2,4-dimethylphenyl)-4-methyl-6-(4-methylphenyl)-2-sulfanyl-1,6-dihydropyrimidine-5-carboxamide
| Molecular Formula | C21H23N3OS |
|---|---|
| Molecular Weight | 365.16 g/mol |
| LogP | 4.04336 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 365.1562 |
| Heavy Atoms | 26 |
| Complexity | 899.9722 |
Chemical Identifiers
| CAS Number | 431065-95-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)NC3=C(C=C(C=C3)C)C |
Product Overview
AB00114272-01 (CAS 431065-95-1), with molecular formula C21H23N3OS and molecular weight 365.16 g/mol. IUPAC: N-(2,4-dimethylphenyl)-6-methyl-4-(4-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of AB00114272-01
Property Insights of AB00114272-01
The XLogP value of 4.04336 indicates that AB00114272-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.16 Ų, AB00114272-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00114272-01 has 3 hydrogen bond donor(s) and 2 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 AB00114272-01?
The CAS number of AB00114272-01 is 431065-95-1.
What is the molecular formula of AB00114272-01?
The molecular formula of AB00114272-01 is C21H23N3OS.
What is the molecular weight of AB00114272-01?
The molecular weight of AB00114272-01 is 365.16 g/mol.
Where can I buy AB00114272-01?
You can request a quote for AB00114272-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00114272-01?
Yes, KEHONG BIO provides custom synthesis services for AB00114272-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.