BAS 00851850
TL;DR: BAS 00851850 (CAS 90130-14-6) is a chemical compound with molecular formula C16H15NO2 and molecular weight 253.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenyl-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
Also Known As: BAS 00851850, 2-phenyl-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione, 4,7-Ethano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-phenyl-, 4-Phenyl-4-aza-tricyclo[5.2.2.0*2,6*]undec-8-ene-3,5-dione, A1216/0056045
| Molecular Formula | C16H15NO2 |
|---|---|
| Molecular Weight | 253.11 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 253.11028 |
| Heavy Atoms | 19 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 90130-14-6 |
|---|---|
| SMILES | C1CC2C=CC1C3C2C(=O)N(C3=O)C4=CC=CC=C4 |
| InChIKey | ZGRBDOVPDXEDMO-UHFFFAOYSA-N |
Product Overview
BAS 00851850 (CAS 90130-14-6), with molecular formula C16H15NO2 and molecular weight 253.11 g/mol. IUPAC: 4-phenyl-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione.
Chemical Property Profile of BAS 00851850
Property Insights of BAS 00851850
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00851850. With a topological polar surface area (TPSA) of 37.4 Ų, BAS 00851850 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00851850 has 0 hydrogen bond donor(s) and 2 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 00851850?
The CAS number of BAS 00851850 is 90130-14-6.
What is the molecular formula of BAS 00851850?
The molecular formula of BAS 00851850 is C16H15NO2.
What is the molecular weight of BAS 00851850?
The molecular weight of BAS 00851850 is 253.11 g/mol.
Where can I buy BAS 00851850?
You can request a quote for BAS 00851850 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00851850?
Yes, KEHONG BIO provides custom synthesis services for BAS 00851850 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.