BAS 04461795
TL;DR: BAS 04461795 (CAS 577760-53-3) is a chemical compound with molecular formula C17H14N2OS2 and molecular weight 326.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)ethanone
Also Known As: BAS 04461795, 2-((6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-phenylethanone, AQ-750/42052611, F1142-3167, 1-phenyl-2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl}ethan-1-one
| Molecular Formula | C17H14N2OS2 |
|---|---|
| Molecular Weight | 326.05 g/mol |
| LogP | 4.155 |
| Topological Polar Surface Area | 42.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.05475 |
| Heavy Atoms | 22 |
| Complexity | 842.49115 |
Chemical Identifiers
| CAS Number | 577760-53-3 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=NC=N3)SCC(=O)C4=CC=CC=C4 |
Product Overview
BAS 04461795 (CAS 577760-53-3), with molecular formula C17H14N2OS2 and molecular weight 326.05 g/mol. IUPAC: 1-phenyl-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)ethanone.
Chemical Property Profile of BAS 04461795
Property Insights of BAS 04461795
The XLogP value of 4.155 indicates that BAS 04461795 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 04461795 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 04461795 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 04461795?
The CAS number of BAS 04461795 is 577760-53-3.
What is the molecular formula of BAS 04461795?
The molecular formula of BAS 04461795 is C17H14N2OS2.
What is the molecular weight of BAS 04461795?
The molecular weight of BAS 04461795 is 326.05 g/mol.
Where can I buy BAS 04461795?
You can request a quote for BAS 04461795 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04461795?
Yes, KEHONG BIO provides custom synthesis services for BAS 04461795 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.