BAS 00529991
TL;DR: BAS 00529991 (CAS 312632-76-1) is a chemical compound with molecular formula C25H21Br2NO2 and molecular weight 524.9939 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(3,5-dibromo-2-hydroxyphenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one
Also Known As: BAS 00529991, 5-(3,5-dibromo-2-hydroxyphenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one, AE-641/09780040, 5-(3,5-dibromo-2-hydroxyphenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one, 5-(3,5-DIBROMO-2-HYDROXYPHENYL)-2,2-DIMETHYL-1H,2H,3H,4H,5H,6H-BENZO[A]PHENANTHRIDIN-4-ONE
Technical Specifications
| Molecular Formula | C25H21Br2NO2 |
| Molecular Weight | 524.9939 g/mol |
| XLogP | 6.4 |
| Topological Polar Surface Area (TPSA) | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 524.9939 Da |
| Heavy Atoms | 30 |
| Complexity | 735.0 |
| SMILES | CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=C(C(=CC(=C5)Br)Br)O)C(=O)C1)C |
| InChIKey | ZIFBUANJTJPCQJ-UHFFFAOYSA-N |
Chemical Property Profile of BAS 00529991
Property Insights of BAS 00529991
The XLogP value of 6.4 indicates that BAS 00529991 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.3 Ų, BAS 00529991 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00529991 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of BAS 00529991?
The CAS number of BAS 00529991 is 312632-76-1.
What is the molecular formula of BAS 00529991?
The molecular formula of BAS 00529991 is C25H21Br2NO2.
What is the molecular weight of BAS 00529991?
The molecular weight of BAS 00529991 is 524.9939 g/mol.
Where can I buy BAS 00529991?
You can request a quote for BAS 00529991 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BAS 00529991?
Yes, CoreyChem provides custom synthesis services for BAS 00529991 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.