BAS 00458545
TL;DR: BAS 00458545 (CAS 328556-95-2) is a chemical compound with molecular formula C21H24N4OS and molecular weight 380.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(dimethylamino)phenyl]-6-methyl-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
Also Known As: BAS 00458545, AB00087944-01, 4-[4-(DIMETHYLAMINO)PHENYL]-6-METHYL-N-(2-METHYLPHENYL)-2-SULFANYLIDENE-3,4-DIHYDRO-1H-PYRIMIDINE-5-CARBOXAMIDE, 4-[4-(dimethylamino)phenyl]-6-methyl-N-(2-methylphenyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide, 4-(4-dimethylaminophenyl)-6-methyl-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
| Molecular Formula | C21H24N4OS |
|---|---|
| Molecular Weight | 380.17 g/mol |
| LogP | 3.49252 |
| Topological Polar Surface Area | 56.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.16708 |
| Heavy Atoms | 27 |
| Complexity | 902.6525 |
Chemical Identifiers
| CAS Number | 328556-95-2 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)C2=C(NC(=S)NC2C3=CC=C(C=C3)N(C)C)C |
Product Overview
BAS 00458545 (CAS 328556-95-2), with molecular formula C21H24N4OS and molecular weight 380.17 g/mol. IUPAC: 4-[4-(dimethylamino)phenyl]-6-methyl-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of BAS 00458545
Property Insights of BAS 00458545
The XLogP value of 3.49252 indicates that BAS 00458545 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.4 Ų, BAS 00458545 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00458545 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 BAS 00458545?
The CAS number of BAS 00458545 is 328556-95-2.
What is the molecular formula of BAS 00458545?
The molecular formula of BAS 00458545 is C21H24N4OS.
What is the molecular weight of BAS 00458545?
The molecular weight of BAS 00458545 is 380.17 g/mol.
Where can I buy BAS 00458545?
You can request a quote for BAS 00458545 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00458545?
Yes, KEHONG BIO provides custom synthesis services for BAS 00458545 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.