BAS 00458563
TL;DR: BAS 00458563 (CAS 5550-66-3) is a chemical compound with molecular formula C20H21N3O2S and molecular weight 367.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methoxyphenyl)-6-methyl-N-(4-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
Also Known As: BAS 00458563, AB00088633-01, 4-(4-methoxyphenyl)-6-methyl-N-(4-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide, 4-(4-methoxyphenyl)-6-methyl-N-(4-methylphenyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide, [6-(4-methoxyphenyl)-4-methyl-2-thioxo(1,3,6-trihydropyrimidin-5-yl)]-N-(4-met hylphenyl)carboxamide
| Molecular Formula | C20H21N3O2S |
|---|---|
| Molecular Weight | 367.14 g/mol |
| LogP | 3.43512 |
| Topological Polar Surface Area | 62.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.13544 |
| Heavy Atoms | 26 |
| Complexity | 857.62994 |
Chemical Identifiers
| CAS Number | 5550-66-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)C2=C(NC(=S)NC2C3=CC=C(C=C3)OC)C |
Product Overview
BAS 00458563 (CAS 5550-66-3), with molecular formula C20H21N3O2S and molecular weight 367.14 g/mol. IUPAC: 4-(4-methoxyphenyl)-6-methyl-N-(4-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of BAS 00458563
Property Insights of BAS 00458563
The XLogP value of 3.43512 indicates that BAS 00458563 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 BAS 00458563. Following Lipinski's Rule of Five, BAS 00458563 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 00458563?
The CAS number of BAS 00458563 is 5550-66-3.
What is the molecular formula of BAS 00458563?
The molecular formula of BAS 00458563 is C20H21N3O2S.
What is the molecular weight of BAS 00458563?
The molecular weight of BAS 00458563 is 367.14 g/mol.
Where can I buy BAS 00458563?
You can request a quote for BAS 00458563 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00458563?
Yes, KEHONG BIO provides custom synthesis services for BAS 00458563 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.