BAS 13776095
TL;DR: BAS 13776095 (CAS 1212440-33-9) is a chemical compound with molecular formula C19H23N3O2 and molecular weight 325.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-5',7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione
Also Known As: BAS 13776095, (1S,5S,7R)-5-ethyl-5',7-dimethyl-1,3-diazaspiro[adamantane-2,3'-indoline]-2',6-dione, (5s,7s)-5-ethyl-5',7-dimethyl-6H-spiro[1,3-diazatricyclo[3.3.1.1~3,7~]decane-2,3'-indole]-2',6(1'H)-dione, 5-ethyl-5',7-dimethyl-6H-spiro[1,3-diazatricyclo[3.3.1.1~3,7~]decane-2,3'-indole]-2',6(1'H)-dione
| Molecular Formula | C19H23N3O2 |
|---|---|
| Molecular Weight | 325.18 g/mol |
| LogP | 1.71652 |
| Topological Polar Surface Area | 52.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 325.17902 |
| Heavy Atoms | 24 |
| Complexity | 783.8017 |
Chemical Identifiers
| CAS Number | 1212440-33-9 |
|---|---|
| SMILES | CCC12CN3CC(C1=O)(CN(C2)C34C5=C(C=CC(=C5)C)NC4=O)C |
Product Overview
BAS 13776095 (CAS 1212440-33-9), with molecular formula C19H23N3O2 and molecular weight 325.18 g/mol. IUPAC: 5-ethyl-5',7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione.
Chemical Property Profile of BAS 13776095
Property Insights of BAS 13776095
The XLogP value of 1.71652 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 13776095. With a topological polar surface area (TPSA) of 52.65 Ų, BAS 13776095 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 13776095 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 13776095?
The CAS number of BAS 13776095 is 1212440-33-9.
What is the molecular formula of BAS 13776095?
The molecular formula of BAS 13776095 is C19H23N3O2.
What is the molecular weight of BAS 13776095?
The molecular weight of BAS 13776095 is 325.18 g/mol.
Where can I buy BAS 13776095?
You can request a quote for BAS 13776095 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13776095?
Yes, KEHONG BIO provides custom synthesis services for BAS 13776095 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.