BAS 00147209
TL;DR: BAS 00147209 (CAS 302561-49-5) is a chemical compound with molecular formula C18H24N2O3S and molecular weight 348.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-(2-ethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: BAS 00147209, A1044/0048940, butyl 4-(2-ethoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, butyl 4-(2-ethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate, butyl 6-(2-ethoxyphenyl)-4-methyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate
| Molecular Formula | C18H24N2O3S |
|---|---|
| Molecular Weight | 348.15 g/mol |
| LogP | 3.2214 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 348.15076 |
| Heavy Atoms | 24 |
| Complexity | 642.90594 |
Chemical Identifiers
| CAS Number | 302561-49-5 |
|---|---|
| SMILES | CCCCOC(=O)C1=C(NC(=S)NC1C2=CC=CC=C2OCC)C |
Product Overview
BAS 00147209 (CAS 302561-49-5), with molecular formula C18H24N2O3S and molecular weight 348.15 g/mol. IUPAC: butyl 4-(2-ethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of BAS 00147209
Property Insights of BAS 00147209
The XLogP value of 3.2214 indicates that BAS 00147209 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 00147209 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00147209 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 00147209?
The CAS number of BAS 00147209 is 302561-49-5.
What is the molecular formula of BAS 00147209?
The molecular formula of BAS 00147209 is C18H24N2O3S.
What is the molecular weight of BAS 00147209?
The molecular weight of BAS 00147209 is 348.15 g/mol.
Where can I buy BAS 00147209?
You can request a quote for BAS 00147209 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00147209?
Yes, KEHONG BIO provides custom synthesis services for BAS 00147209 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.