BAS 12457933
TL;DR: BAS 12457933 (CAS 578720-52-2) is a chemical compound with molecular formula C22H28N6OS and molecular weight 424.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[13-(4-methylpiperazin-1-yl)-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-8-yl]morpholine
Also Known As: BAS 12457933, 4-(8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl)morpholine, 8-(4-methylpiperazin-1-yl)-5-(morpholin-4-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
| Molecular Formula | C22H28N6OS |
|---|---|
| Molecular Weight | 424.20 g/mol |
| LogP | 2.7067 |
| Topological Polar Surface Area | 57.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 424.20453 |
| Heavy Atoms | 30 |
| Complexity | 1084.3516 |
Chemical Identifiers
| CAS Number | 578720-52-2 |
|---|---|
| SMILES | CN1CCN(CC1)C2=NC=NC3=C2SC4=C3C5=C(CCCC5)C(=N4)N6CCOCC6 |
Product Overview
BAS 12457933 (CAS 578720-52-2), with molecular formula C22H28N6OS and molecular weight 424.20 g/mol. IUPAC: 4-[13-(4-methylpiperazin-1-yl)-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-8-yl]morpholine.
Chemical Property Profile of BAS 12457933
Property Insights of BAS 12457933
The XLogP value of 2.7067 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12457933. With a topological polar surface area (TPSA) of 57.62 Ų, BAS 12457933 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 12457933 has 0 hydrogen bond donor(s) and 8 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 12457933?
The CAS number of BAS 12457933 is 578720-52-2.
What is the molecular formula of BAS 12457933?
The molecular formula of BAS 12457933 is C22H28N6OS.
What is the molecular weight of BAS 12457933?
The molecular weight of BAS 12457933 is 424.20 g/mol.
Where can I buy BAS 12457933?
You can request a quote for BAS 12457933 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12457933?
Yes, KEHONG BIO provides custom synthesis services for BAS 12457933 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.