BAS 13776089
TL;DR: BAS 13776089 (CAS 956756-72-2) is a chemical compound with molecular formula C20H25N3O2 and molecular weight 339.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-2-(5-methoxy-1H-indol-3-yl)-7-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
Also Known As: BAS 13776089, AB01291261-01, D210-0052, A4094/0174564, 5-ethyl-2-(5-methoxy-1H-indol-3-yl)-7-methyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
| Molecular Formula | C20H25N3O2 |
|---|---|
| Molecular Weight | 339.19 g/mol |
| LogP | 2.7917 |
| Topological Polar Surface Area | 48.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.19467 |
| Heavy Atoms | 25 |
| Complexity | 854.9485 |
Chemical Identifiers
| CAS Number | 956756-72-2 |
|---|---|
| SMILES | CCC12CN3CC(C1=O)(CN(C2)C3C4=CNC5=C4C=C(C=C5)OC)C |
Product Overview
BAS 13776089 (CAS 956756-72-2), with molecular formula C20H25N3O2 and molecular weight 339.19 g/mol. IUPAC: 5-ethyl-2-(5-methoxy-1H-indol-3-yl)-7-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
Chemical Property Profile of BAS 13776089
Property Insights of BAS 13776089
The XLogP value of 2.7917 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 13776089. With a topological polar surface area (TPSA) of 48.57 Ų, BAS 13776089 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 13776089 has 1 hydrogen bond donor(s) and 4 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 13776089?
The CAS number of BAS 13776089 is 956756-72-2.
What is the molecular formula of BAS 13776089?
The molecular formula of BAS 13776089 is C20H25N3O2.
What is the molecular weight of BAS 13776089?
The molecular weight of BAS 13776089 is 339.19 g/mol.
Where can I buy BAS 13776089?
You can request a quote for BAS 13776089 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13776089?
Yes, KEHONG BIO provides custom synthesis services for BAS 13776089 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.