BAS 12411453
TL;DR: BAS 12411453 (CAS 843625-07-0) is a chemical compound with molecular formula C22H20FN3O2S and molecular weight 409.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14-[(4-fluorophenyl)methyl]-5,5,13-trimethyl-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11(16),12-pentaen-15-one
Also Known As: BAS 12411453, AO-022/43454823, 3-(4-fluorobenzyl)-2,8,8-trimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one, 3-(4-fluorobenzyl)-2,8,8-trimethyl-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one, 14-[(4-Fluorophenyl)methyl]-5,5,13-trimethyl-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11(16),12-pentaen-15-one
| Molecular Formula | C22H20FN3O2S |
|---|---|
| Molecular Weight | 409.13 g/mol |
| LogP | 4.35332 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 409.12604 |
| Heavy Atoms | 29 |
| Complexity | 1322.3865 |
Chemical Identifiers
| CAS Number | 843625-07-0 |
|---|---|
| SMILES | CC1=NC2=C(C(=O)N1CC3=CC=C(C=C3)F)SC4=C2C=C5COC(CC5=N4)(C)C |
Product Overview
BAS 12411453 (CAS 843625-07-0), with molecular formula C22H20FN3O2S and molecular weight 409.13 g/mol. IUPAC: 14-[(4-fluorophenyl)methyl]-5,5,13-trimethyl-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11(16),12-pentaen-15-one.
Chemical Property Profile of BAS 12411453
Property Insights of BAS 12411453
The XLogP value of 4.35332 indicates that BAS 12411453 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.01 Ų, BAS 12411453 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 12411453 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 12411453?
The CAS number of BAS 12411453 is 843625-07-0.
What is the molecular formula of BAS 12411453?
The molecular formula of BAS 12411453 is C22H20FN3O2S.
What is the molecular weight of BAS 12411453?
The molecular weight of BAS 12411453 is 409.13 g/mol.
Where can I buy BAS 12411453?
You can request a quote for BAS 12411453 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12411453?
Yes, KEHONG BIO provides custom synthesis services for BAS 12411453 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.