BAS 03373646
TL;DR: BAS 03373646 (CAS 431918-00-2) is a chemical compound with molecular formula C21H19FN2O2S2 and molecular weight 414.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: BAS 03373646, 3-allyl-2-((2-(4-fluorophenyl)-2-oxoethyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, F1043-0005, 5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one, 2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
| Molecular Formula | C21H19FN2O2S2 |
|---|---|
| Molecular Weight | 414.09 g/mol |
| LogP | 4.6369 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.0872 |
| Heavy Atoms | 28 |
| Complexity | 1116.1213 |
Chemical Identifiers
| CAS Number | 431918-00-2 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCC(=O)C3=CC=C(C=C3)F)SC4=C2CCCC4 |
Product Overview
BAS 03373646 (CAS 431918-00-2), with molecular formula C21H19FN2O2S2 and molecular weight 414.09 g/mol. IUPAC: 2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of BAS 03373646
Property Insights of BAS 03373646
The XLogP value of 4.6369 indicates that BAS 03373646 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.96 Ų, BAS 03373646 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 03373646 has 0 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 03373646?
The CAS number of BAS 03373646 is 431918-00-2.
What is the molecular formula of BAS 03373646?
The molecular formula of BAS 03373646 is C21H19FN2O2S2.
What is the molecular weight of BAS 03373646?
The molecular weight of BAS 03373646 is 414.09 g/mol.
Where can I buy BAS 03373646?
You can request a quote for BAS 03373646 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03373646?
Yes, KEHONG BIO provides custom synthesis services for BAS 03373646 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.