BAS 13776090
TL;DR: BAS 13776090 (CAS 1212484-20-2) is a chemical compound with molecular formula C18H21N3O2 and molecular weight 311.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-7-methylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione
Also Known As: BAS 13776090, 5-ethyl-7-methyl-6H-spiro[1,3-diazatricyclo[3.3.1.1~3,7~]decane-2,3'-indole]-2',6(1'H)-dione, (1S,5S,7R)-5-ethyl-7-methyl-1,3-diazaspiro[adamantane-2,3'-indoline]-2',6-dione
| Molecular Formula | C18H21N3O2 |
|---|---|
| Molecular Weight | 311.16 g/mol |
| LogP | 1.4081 |
| Topological Polar Surface Area | 52.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 311.1634 |
| Heavy Atoms | 23 |
| Complexity | 740.38855 |
Chemical Identifiers
| CAS Number | 1212484-20-2 |
|---|---|
| SMILES | CCC12CN3CC(C1=O)(CN(C2)C34C5=CC=CC=C5NC4=O)C |
Product Overview
BAS 13776090 (CAS 1212484-20-2), with molecular formula C18H21N3O2 and molecular weight 311.16 g/mol. IUPAC: 5-ethyl-7-methylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione.
Chemical Property Profile of BAS 13776090
Property Insights of BAS 13776090
The XLogP value of 1.4081 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 13776090. With a topological polar surface area (TPSA) of 52.65 Ų, BAS 13776090 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 13776090 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 13776090?
The CAS number of BAS 13776090 is 1212484-20-2.
What is the molecular formula of BAS 13776090?
The molecular formula of BAS 13776090 is C18H21N3O2.
What is the molecular weight of BAS 13776090?
The molecular weight of BAS 13776090 is 311.16 g/mol.
Where can I buy BAS 13776090?
You can request a quote for BAS 13776090 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13776090?
Yes, KEHONG BIO provides custom synthesis services for BAS 13776090 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.