BAS 00161659
TL;DR: BAS 00161659 (CAS 295344-42-2) is a chemical compound with molecular formula C21H30N2O3S and molecular weight 390.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl 6-methyl-4-(2-propoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: BAS 00161659, hexyl 6-methyl-4-(2-propoxyphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate, hexyl 6-methyl-4-(2-propoxyphenyl)-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, F0265-0239, hexyl 6-methyl-4-(2-propoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
| Molecular Formula | C21H30N2O3S |
|---|---|
| Molecular Weight | 390.20 g/mol |
| LogP | 4.3917 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 390.19772 |
| Heavy Atoms | 27 |
| Complexity | 687.7592 |
Chemical Identifiers
| CAS Number | 295344-42-2 |
|---|---|
| SMILES | CCCCCCOC(=O)C1=C(NC(=S)NC1C2=CC=CC=C2OCCC)C |
Product Overview
BAS 00161659 (CAS 295344-42-2), with molecular formula C21H30N2O3S and molecular weight 390.20 g/mol. IUPAC: hexyl 6-methyl-4-(2-propoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of BAS 00161659
Property Insights of BAS 00161659
The XLogP value of 4.3917 indicates that BAS 00161659 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.59 Ų, BAS 00161659 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00161659 has 2 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 00161659?
The CAS number of BAS 00161659 is 295344-42-2.
What is the molecular formula of BAS 00161659?
The molecular formula of BAS 00161659 is C21H30N2O3S.
What is the molecular weight of BAS 00161659?
The molecular weight of BAS 00161659 is 390.20 g/mol.
Where can I buy BAS 00161659?
You can request a quote for BAS 00161659 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00161659?
Yes, KEHONG BIO provides custom synthesis services for BAS 00161659 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.