BAS 04454047
TL;DR: BAS 04454047 (CAS 315708-62-4) is a chemical compound with molecular formula C19H17FN2OS2 and molecular weight 372.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-fluorophenyl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone
Also Known As: BAS 04454047, UPCMLD0ENAT0513-4927:001, F1174-0217, AF-399/15599186, 1-(2-fluorophenyl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone
| Molecular Formula | C19H17FN2OS2 |
|---|---|
| Molecular Weight | 372.08 g/mol |
| LogP | 4.99262 |
| Topological Polar Surface Area | 42.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.07663 |
| Heavy Atoms | 25 |
| Complexity | 967.45764 |
Chemical Identifiers
| CAS Number | 315708-62-4 |
|---|---|
| SMILES | CC1=NC2=C(C3=C(S2)CCCC3)C(=N1)SCC(=O)C4=CC=CC=C4F |
Product Overview
BAS 04454047 (CAS 315708-62-4), with molecular formula C19H17FN2OS2 and molecular weight 372.08 g/mol. IUPAC: 1-(2-fluorophenyl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone.
Chemical Property Profile of BAS 04454047
Property Insights of BAS 04454047
The XLogP value of 4.99262 indicates that BAS 04454047 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.85 Ų, BAS 04454047 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 04454047 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 04454047?
The CAS number of BAS 04454047 is 315708-62-4.
What is the molecular formula of BAS 04454047?
The molecular formula of BAS 04454047 is C19H17FN2OS2.
What is the molecular weight of BAS 04454047?
The molecular weight of BAS 04454047 is 372.08 g/mol.
Where can I buy BAS 04454047?
You can request a quote for BAS 04454047 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04454047?
Yes, KEHONG BIO provides custom synthesis services for BAS 04454047 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.