BAS 04461907
TL;DR: BAS 04461907 (CAS 314244-56-9) is a chemical compound with molecular formula C18H14F3N3OS2 and molecular weight 409.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
Also Known As: BAS 04461907, AB00713231-01, AF-399/37330002, 2-(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide, 2-(7-Thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
| Molecular Formula | C18H14F3N3OS2 |
|---|---|
| Molecular Weight | 409.05 g/mol |
| LogP | 4.9296 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 409.05304 |
| Heavy Atoms | 27 |
| Complexity | 1016.74475 |
Chemical Identifiers
| CAS Number | 314244-56-9 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=NC=N3)SCC(=O)NC4=CC=CC(=C4)C(F)(F)F |
Product Overview
BAS 04461907 (CAS 314244-56-9), with molecular formula C18H14F3N3OS2 and molecular weight 409.05 g/mol. IUPAC: 2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of BAS 04461907
Property Insights of BAS 04461907
The XLogP value of 4.9296 indicates that BAS 04461907 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, BAS 04461907 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 04461907 has 1 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 04461907?
The CAS number of BAS 04461907 is 314244-56-9.
What is the molecular formula of BAS 04461907?
The molecular formula of BAS 04461907 is C18H14F3N3OS2.
What is the molecular weight of BAS 04461907?
The molecular weight of BAS 04461907 is 409.05 g/mol.
Where can I buy BAS 04461907?
You can request a quote for BAS 04461907 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04461907?
Yes, KEHONG BIO provides custom synthesis services for BAS 04461907 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.