BAS 01108764
TL;DR: BAS 01108764 (CAS 332099-45-3) is a chemical compound with molecular formula C22H24N2O4S and molecular weight 412.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethyl 4-(3,5-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: BAS 01108764, 2-Phenylethyl 4-(3,5-dimethoxyphenyl)-1,2,3,4-tetrahydro-6-methyl-2-thioxo-5-pyrimidinecarboxylate, 2-Phenylethyl 4-(3,5-dimethoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate, phenethyl 4-(3,5-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
| Molecular Formula | C22H24N2O4S |
|---|---|
| Molecular Weight | 412.15 g/mol |
| LogP | 3.2825 |
| Topological Polar Surface Area | 68.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 412.1457 |
| Heavy Atoms | 29 |
| Complexity | 905.4144 |
Chemical Identifiers
| CAS Number | 332099-45-3 |
|---|---|
| SMILES | CC1=C(C(NC(=S)N1)C2=CC(=CC(=C2)OC)OC)C(=O)OCCC3=CC=CC=C3 |
Product Overview
BAS 01108764 (CAS 332099-45-3), with molecular formula C22H24N2O4S and molecular weight 412.15 g/mol. IUPAC: 2-phenylethyl 4-(3,5-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of BAS 01108764
Property Insights of BAS 01108764
The XLogP value of 3.2825 indicates that BAS 01108764 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.82 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01108764. Following Lipinski's Rule of Five, BAS 01108764 has 2 hydrogen bond donor(s) and 5 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 01108764?
The CAS number of BAS 01108764 is 332099-45-3.
What is the molecular formula of BAS 01108764?
The molecular formula of BAS 01108764 is C22H24N2O4S.
What is the molecular weight of BAS 01108764?
The molecular weight of BAS 01108764 is 412.15 g/mol.
Where can I buy BAS 01108764?
You can request a quote for BAS 01108764 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01108764?
Yes, KEHONG BIO provides custom synthesis services for BAS 01108764 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.