BAS 00989872
TL;DR: BAS 00989872 (CAS 3202-99-1) is a chemical compound with molecular formula C23H30N2O and molecular weight 350.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-ditert-butyl-4-(1,3-dimethylbenzimidazol-2-ylidene)cyclohexa-2,5-dien-1-one
Also Known As: BAS 00989872, AE-848/33207062, 2,6-ditert-butyl-4-(1,3-dimethylbenzimidazol-2-ylidene)cyclohexa-2,5-dien-1-one, 2,6-bis(tert-butyl)-4-(1,3-dimethyl(3-hydrobenzimidazol-2-ylidene))cyclohexa-2 ,5-dien-1-one, 2,6-di-tert-butyl-4-(1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)-2,5-cyclohexadien-1-one
| Molecular Formula | C23H30N2O |
|---|---|
| Molecular Weight | 350.24 g/mol |
| LogP | 5.3119 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 350.2358 |
| Heavy Atoms | 26 |
| Complexity | 789.9294 |
Chemical Identifiers
| CAS Number | 3202-99-1 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C2N(C3=CC=CC=C3N2C)C)C=C(C1=O)C(C)(C)C |
Product Overview
BAS 00989872 (CAS 3202-99-1), with molecular formula C23H30N2O and molecular weight 350.24 g/mol. IUPAC: 2,6-ditert-butyl-4-(1,3-dimethylbenzimidazol-2-ylidene)cyclohexa-2,5-dien-1-one.
Chemical Property Profile of BAS 00989872
Property Insights of BAS 00989872
The XLogP value of 5.3119 indicates that BAS 00989872 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.55 Ų, BAS 00989872 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00989872 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00989872?
The CAS number of BAS 00989872 is 3202-99-1.
What is the molecular formula of BAS 00989872?
The molecular formula of BAS 00989872 is C23H30N2O.
What is the molecular weight of BAS 00989872?
The molecular weight of BAS 00989872 is 350.24 g/mol.
Where can I buy BAS 00989872?
You can request a quote for BAS 00989872 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00989872?
Yes, KEHONG BIO provides custom synthesis services for BAS 00989872 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.