BAS 00944050
TL;DR: BAS 00944050 (CAS 333768-39-1) is a chemical compound with molecular formula C21H23N3O3S and molecular weight 397.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
Also Known As: BAS 00944050, BIM-0032655.P001, AB00095770-01, AE-848/12918258, 4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
| Molecular Formula | C21H23N3O3S |
|---|---|
| Molecular Weight | 397.15 g/mol |
| LogP | 3.53082 |
| Topological Polar Surface Area | 82.62 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.14603 |
| Heavy Atoms | 28 |
| Complexity | 955.66205 |
Chemical Identifiers
| CAS Number | 333768-39-1 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)NC3=CC=CC=C3C)O |
Product Overview
BAS 00944050 (CAS 333768-39-1), with molecular formula C21H23N3O3S and molecular weight 397.15 g/mol. IUPAC: 4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of BAS 00944050
Property Insights of BAS 00944050
The XLogP value of 3.53082 indicates that BAS 00944050 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.62 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00944050. Following Lipinski's Rule of Five, BAS 00944050 has 4 hydrogen bond donor(s) and 4 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 00944050?
The CAS number of BAS 00944050 is 333768-39-1.
What is the molecular formula of BAS 00944050?
The molecular formula of BAS 00944050 is C21H23N3O3S.
What is the molecular weight of BAS 00944050?
The molecular weight of BAS 00944050 is 397.15 g/mol.
Where can I buy BAS 00944050?
You can request a quote for BAS 00944050 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00944050?
Yes, KEHONG BIO provides custom synthesis services for BAS 00944050 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.