BAS 00406468
TL;DR: BAS 00406468 (CAS 296275-57-5) is a chemical compound with molecular formula C18H17NO2 and molecular weight 279.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-methylphenyl)spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
Also Known As: BAS 00406468, 4-(3-Methylphenyl)spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione, 2-(m-tolyl)-3a,4,7,7a-tetrahydro-1H-spiro[4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione, 2-(3-methylphenyl)-3a,4,7,7a-tetrahydro-1H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione, 4-(3-methylphenyl)-spiro[4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-10,1'-cyclopropane]-3,5-dione
| Molecular Formula | C18H17NO2 |
|---|---|
| Molecular Weight | 279.13 g/mol |
| LogP | 2.69662 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 279.12592 |
| Heavy Atoms | 21 |
| Complexity | 681.6834 |
Chemical Identifiers
| CAS Number | 296275-57-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=O)C3C4C=CC(C3C2=O)C45CC5 |
Product Overview
BAS 00406468 (CAS 296275-57-5), with molecular formula C18H17NO2 and molecular weight 279.13 g/mol. IUPAC: 4-(3-methylphenyl)spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione.
Chemical Property Profile of BAS 00406468
Property Insights of BAS 00406468
The XLogP value of 2.69662 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00406468. With a topological polar surface area (TPSA) of 37.38 Ų, BAS 00406468 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00406468 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 00406468?
The CAS number of BAS 00406468 is 296275-57-5.
What is the molecular formula of BAS 00406468?
The molecular formula of BAS 00406468 is C18H17NO2.
What is the molecular weight of BAS 00406468?
The molecular weight of BAS 00406468 is 279.13 g/mol.
Where can I buy BAS 00406468?
You can request a quote for BAS 00406468 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00406468?
Yes, KEHONG BIO provides custom synthesis services for BAS 00406468 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.