ChemDiv3_004423
TL;DR: ChemDiv3_004423 (CAS 537680-16-3) is a chemical compound with molecular formula C22H26N4OS and molecular weight 394.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(dimethylamino)phenyl]-N-(2,5-dimethylphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
Also Known As: ChemDiv3_004423, IDI1_022333, BRD-A13726563-001-01-9, 4-[4-(dimethylamino)phenyl]-N-(2,5-dimethylphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide, F1222-0503
| Molecular Formula | C22H26N4OS |
|---|---|
| Molecular Weight | 394.18 g/mol |
| LogP | 3.80094 |
| Topological Polar Surface Area | 56.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.18274 |
| Heavy Atoms | 28 |
| Complexity | 947.50916 |
Chemical Identifiers
| CAS Number | 537680-16-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)NC(=O)C2=C(NC(=S)NC2C3=CC=C(C=C3)N(C)C)C |
Product Overview
ChemDiv3_004423 (CAS 537680-16-3), with molecular formula C22H26N4OS and molecular weight 394.18 g/mol. IUPAC: 4-[4-(dimethylamino)phenyl]-N-(2,5-dimethylphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of ChemDiv3_004423
Property Insights of ChemDiv3_004423
The XLogP value of 3.80094 indicates that ChemDiv3_004423 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.4 Ų, ChemDiv3_004423 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_004423 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 ChemDiv3_004423?
The CAS number of ChemDiv3_004423 is 537680-16-3.
What is the molecular formula of ChemDiv3_004423?
The molecular formula of ChemDiv3_004423 is C22H26N4OS.
What is the molecular weight of ChemDiv3_004423?
The molecular weight of ChemDiv3_004423 is 394.18 g/mol.
Where can I buy ChemDiv3_004423?
You can request a quote for ChemDiv3_004423 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004423?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004423 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.