BAS 00335741
TL;DR: BAS 00335741 (CAS 179946-04-4) is a chemical compound with molecular formula C22H26N2O and molecular weight 334.2045 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
spiro[3,10-diazatetracyclo[9.8.0.03,9.012,17]nonadeca-1(11),9,12,14,16-pentaene-19,1'-cyclohexane]-2-one
Also Known As: BAS 00335741, 10,11,12,13-tetrahydro-5H-spiro[azepino[2,1-b]benzo[h]quinazoline-6,1'-cyclohexan]-7(9H)-one, spiro[5,6,8-trihydro-9H,10H,11H,12H,13H-azaperhydroepino[2,1-b]benzo[h]quinazo line-6,1'-cyclohexane]-7-one
Technical Specifications
| Molecular Formula | C22H26N2O |
| Molecular Weight | 334.2045 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 334.2045 Da |
| Heavy Atoms | 25 |
| Complexity | 626.0 |
| SMILES | C1CCC2=NC3=C(C(=O)N2CC1)C4(CCCCC4)CC5=CC=CC=C53 |
| InChIKey | DTKMVWZKEUHMRJ-UHFFFAOYSA-N |
Chemical Property Profile of BAS 00335741
Property Insights of BAS 00335741
The XLogP value of 4.5 indicates that BAS 00335741 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.7 Ų, BAS 00335741 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00335741 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
What is the CAS number of BAS 00335741?
The CAS number of BAS 00335741 is 179946-04-4.
What is the molecular formula of BAS 00335741?
The molecular formula of BAS 00335741 is C22H26N2O.
What is the molecular weight of BAS 00335741?
The molecular weight of BAS 00335741 is 334.2045 g/mol.
Where can I buy BAS 00335741?
You can request a quote for BAS 00335741 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BAS 00335741?
Yes, CoreyChem provides custom synthesis services for BAS 00335741 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.