BAS 04913256
TL;DR: BAS 04913256 (CAS 314261-60-4) is a chemical compound with molecular formula C20H17FN2O2S2 and molecular weight 400.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Also Known As: BAS 04913256, AF-399/15031089, 10-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one, 3-allyl-2-((2-(4-fluorophenyl)-2-oxoethyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one, F0863-0335
| Molecular Formula | C20H17FN2O2S2 |
|---|---|
| Molecular Weight | 400.07 g/mol |
| LogP | 4.2468 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.07153 |
| Heavy Atoms | 27 |
| Complexity | 1099.8525 |
Chemical Identifiers
| CAS Number | 314261-60-4 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCC(=O)C3=CC=C(C=C3)F)SC4=C2CCC4 |
Product Overview
BAS 04913256 (CAS 314261-60-4), with molecular formula C20H17FN2O2S2 and molecular weight 400.07 g/mol. IUPAC: 10-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.
Chemical Property Profile of BAS 04913256
Property Insights of BAS 04913256
The XLogP value of 4.2468 indicates that BAS 04913256 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 04913256 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 04913256 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 04913256?
The CAS number of BAS 04913256 is 314261-60-4.
What is the molecular formula of BAS 04913256?
The molecular formula of BAS 04913256 is C20H17FN2O2S2.
What is the molecular weight of BAS 04913256?
The molecular weight of BAS 04913256 is 400.07 g/mol.
Where can I buy BAS 04913256?
You can request a quote for BAS 04913256 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04913256?
Yes, KEHONG BIO provides custom synthesis services for BAS 04913256 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.