BAS 04357426
TL;DR: BAS 04357426 (CAS 459150-90-4) is a chemical compound with molecular formula C22H23N3O3 and molecular weight 377.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methoxyphenyl)-2-methyl-7-phenyl-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione
Also Known As: BAS 04357426, 2-(4-methoxyphenyl)-3a-methyl-9-phenylhexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione, 2-(4-methoxyphenyl)-3a-methyl-9-phenyltetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione
| Molecular Formula | C22H23N3O3 |
|---|---|
| Molecular Weight | 377.17 g/mol |
| LogP | 2.6209 |
| Topological Polar Surface Area | 53.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 377.17395 |
| Heavy Atoms | 28 |
| Complexity | 929.803 |
Chemical Identifiers
| CAS Number | 459150-90-4 |
|---|---|
| SMILES | CC12C(C(N3N1CCC3)C4=CC=CC=C4)C(=O)N(C2=O)C5=CC=C(C=C5)OC |
Product Overview
BAS 04357426 (CAS 459150-90-4), with molecular formula C22H23N3O3 and molecular weight 377.17 g/mol. IUPAC: 4-(4-methoxyphenyl)-2-methyl-7-phenyl-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione.
Chemical Property Profile of BAS 04357426
Property Insights of BAS 04357426
The XLogP value of 2.6209 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04357426. With a topological polar surface area (TPSA) of 53.09 Ų, BAS 04357426 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 04357426 has 0 hydrogen bond donor(s) and 5 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 04357426?
The CAS number of BAS 04357426 is 459150-90-4.
What is the molecular formula of BAS 04357426?
The molecular formula of BAS 04357426 is C22H23N3O3.
What is the molecular weight of BAS 04357426?
The molecular weight of BAS 04357426 is 377.17 g/mol.
Where can I buy BAS 04357426?
You can request a quote for BAS 04357426 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04357426?
Yes, KEHONG BIO provides custom synthesis services for BAS 04357426 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.