F1222-0453
TL;DR: F1222-0453 (CAS 537679-70-2) is a chemical compound with molecular formula C21H23N3O2S and molecular weight 381.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,5-dimethylphenyl)-4-(2-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
Also Known As: F1222-0453, N-(3,5-dimethylphenyl)-4-(2-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide, N-(3,5-dimethylphenyl)-4-(2-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide, N-(3,5-dimethylphenyl)-4-(2-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
| Molecular Formula | C21H23N3O2S |
|---|---|
| Molecular Weight | 381.15 g/mol |
| LogP | 3.74354 |
| Topological Polar Surface Area | 62.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 381.1511 |
| Heavy Atoms | 27 |
| Complexity | 916.524 |
Chemical Identifiers
| CAS Number | 537679-70-2 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)NC(=O)C2=C(NC(=S)NC2C3=CC=CC=C3OC)C)C |
Product Overview
F1222-0453 (CAS 537679-70-2), with molecular formula C21H23N3O2S and molecular weight 381.15 g/mol. IUPAC: N-(3,5-dimethylphenyl)-4-(2-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of F1222-0453
Property Insights of F1222-0453
The XLogP value of 3.74354 indicates that F1222-0453 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.39 Ų falls within the moderate polarity range, balancing permeability and solubility for F1222-0453. Following Lipinski's Rule of Five, F1222-0453 has 3 hydrogen bond donor(s) and 3 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 F1222-0453?
The CAS number of F1222-0453 is 537679-70-2.
What is the molecular formula of F1222-0453?
The molecular formula of F1222-0453 is C21H23N3O2S.
What is the molecular weight of F1222-0453?
The molecular weight of F1222-0453 is 381.15 g/mol.
Where can I buy F1222-0453?
You can request a quote for F1222-0453 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1222-0453?
Yes, KEHONG BIO provides custom synthesis services for F1222-0453 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.