M&B 31426
TL;DR: M&B 31426 (CAS 88247-58-9) is a chemical compound with molecular formula C20H31Cl2N3O and molecular weight 399.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethyl-4-[(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methyl]-1,2-oxazole;dihydrochloride
Also Known As: M&B 31426, M&B-31426, 3,5-Dimethylisoxazol-4-yl-(4-isopropylphenyl)-(4-methylpiperazin-1-yl)methane, 3,5-dimethyl-4-[(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methyl]-1,2-oxazole;dihydrochloride, Piperazine, 1-((3,5-dimethyl-4-isoxazolyl)(4-(1-methylethyl)phenyl)methyl)-4-methyl-, dihydrochloride, (+-)-
| Molecular Formula | C20H31Cl2N3O |
|---|---|
| Molecular Weight | 399.18 g/mol |
| LogP | 4.59524 |
| Topological Polar Surface Area | 32.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.18442 |
| Heavy Atoms | 26 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 88247-58-9 |
|---|---|
| SMILES | CC1=C(C(=NO1)C)C(C2=CC=C(C=C2)C(C)C)N3CCN(CC3)C.Cl.Cl |
| InChIKey | AAJVQBSGIAYBRA-UHFFFAOYSA-N |
Product Overview
M&B 31426 (CAS 88247-58-9), with molecular formula C20H31Cl2N3O and molecular weight 399.18 g/mol. IUPAC: 3,5-dimethyl-4-[(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methyl]-1,2-oxazole;dihydrochloride.
Chemical Property Profile of M&B 31426
Property Insights of M&B 31426
The XLogP value of 4.59524 indicates that M&B 31426 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.5 Ų, M&B 31426 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, M&B 31426 has 2 hydrogen bond donor(s) and 4 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 M&B 31426?
The CAS number of M&B 31426 is 88247-58-9.
What is the molecular formula of M&B 31426?
The molecular formula of M&B 31426 is C20H31Cl2N3O.
What is the molecular weight of M&B 31426?
The molecular weight of M&B 31426 is 399.18 g/mol.
Where can I buy M&B 31426?
You can request a quote for M&B 31426 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for M&B 31426?
Yes, KEHONG BIO provides custom synthesis services for M&B 31426 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.