BAS 01216997
TL;DR: BAS 01216997 (CAS 360789-97-5) is a chemical compound with molecular formula C13H18N2O2 and molecular weight 234.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(dimethylamino)ethyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Also Known As: BAS 01216997, J3.624.262K, 2-(2-(dimethylamino)ethyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione, 2-(2-(Dimethylamino)ethyl)-4,7-methano-3a,4,7,7a-tetrahydro-2H-isoindole-1,3-dione, 2-[2-(dimethylamino)ethyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
| Molecular Formula | C13H18N2O2 |
|---|---|
| Molecular Weight | 234.14 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.13683 |
| Heavy Atoms | 17 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 360789-97-5 |
|---|---|
| SMILES | CN(C)CCN1C(=O)C2C3CC(C2C1=O)C=C3 |
| InChIKey | SZBYGOAKJVWDOK-UHFFFAOYSA-N |
Product Overview
BAS 01216997 (CAS 360789-97-5), with molecular formula C13H18N2O2 and molecular weight 234.14 g/mol. IUPAC: 4-[2-(dimethylamino)ethyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
Chemical Property Profile of BAS 01216997
Property Insights of BAS 01216997
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01216997. With a topological polar surface area (TPSA) of 40.6 Ų, BAS 01216997 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01216997 has 0 hydrogen bond donor(s) and 3 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 01216997?
The CAS number of BAS 01216997 is 360789-97-5.
What is the molecular formula of BAS 01216997?
The molecular formula of BAS 01216997 is C13H18N2O2.
What is the molecular weight of BAS 01216997?
The molecular weight of BAS 01216997 is 234.14 g/mol.
Where can I buy BAS 01216997?
You can request a quote for BAS 01216997 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01216997?
Yes, KEHONG BIO provides custom synthesis services for BAS 01216997 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.