BAS 00287751
TL;DR: BAS 00287751 (CAS 313534-20-2) is a chemical compound with molecular formula C21H22N4OS and molecular weight 378.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl-[4-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
Also Known As: BAS 00287751, phenyl 4-(5,6,7,8-tetrahydrobenzo[b]thiopheno[3,2-e]pyrimidin-4-yl)piperazinyl ketone, 3-(4-benzoylpiperazin-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraene, phenyl(4-(5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl)methanone, phenyl-[4-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
| Molecular Formula | C21H22N4OS |
|---|---|
| Molecular Weight | 378.15 g/mol |
| LogP | 3.5325 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 378.15143 |
| Heavy Atoms | 27 |
| Complexity | 976.5152 |
Chemical Identifiers
| CAS Number | 313534-20-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(N=CN=C3S2)N4CCN(CC4)C(=O)C5=CC=CC=C5 |
Product Overview
BAS 00287751 (CAS 313534-20-2), with molecular formula C21H22N4OS and molecular weight 378.15 g/mol. IUPAC: phenyl-[4-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone.
Chemical Property Profile of BAS 00287751
Property Insights of BAS 00287751
The XLogP value of 3.5325 indicates that BAS 00287751 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.33 Ų, BAS 00287751 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00287751 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 00287751?
The CAS number of BAS 00287751 is 313534-20-2.
What is the molecular formula of BAS 00287751?
The molecular formula of BAS 00287751 is C21H22N4OS.
What is the molecular weight of BAS 00287751?
The molecular weight of BAS 00287751 is 378.15 g/mol.
Where can I buy BAS 00287751?
You can request a quote for BAS 00287751 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00287751?
Yes, KEHONG BIO provides custom synthesis services for BAS 00287751 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.