BIM-0005586.P001
TL;DR: BIM-0005586.P001 (CAS 404932-47-4) is a chemical compound with molecular formula C28H27BrN4O2 and molecular weight 530.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-2-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]-1,2-dihydroquinazolin-4-one
Also Known As: BIM-0005586.P001, 3-benzyl-2-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]-1,2-dihydroquinazolin-4-one, 3-benzyl-2-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-2,3-dihydroquinazolin-4(1H)-one, 3-benzyl-2-(3-((4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl)-4-methoxyphenyl)-2,3-dihydroquinazolin-4(1H)-one, 3-BENZYL-2-{3-[(4-BROMO-3,5-DIMETHYL-1H-PYRAZOL-1-YL)METHYL]-4-METHOXYPHENYL}-1,2,3,4-TETRAHYDROQUINAZOLIN-4-ONE
| Molecular Formula | C28H27BrN4O2 |
|---|---|
| Molecular Weight | 530.13 g/mol |
| LogP | 6.08604 |
| Topological Polar Surface Area | 59.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 530.1317 |
| Heavy Atoms | 35 |
| Complexity | 1383.2302 |
Chemical Identifiers
| CAS Number | 404932-47-4 |
|---|---|
| SMILES | CC1=C(C(=NN1CC2=C(C=CC(=C2)C3NC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5)OC)C)Br |
Product Overview
BIM-0005586.P001 (CAS 404932-47-4), with molecular formula C28H27BrN4O2 and molecular weight 530.13 g/mol. IUPAC: 3-benzyl-2-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]-1,2-dihydroquinazolin-4-one.
Chemical Property Profile of BIM-0005586.P001
Property Insights of BIM-0005586.P001
The XLogP value of 6.08604 indicates that BIM-0005586.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.39 Ų, BIM-0005586.P001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BIM-0005586.P001 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BIM-0005586.P001?
The CAS number of BIM-0005586.P001 is 404932-47-4.
What is the molecular formula of BIM-0005586.P001?
The molecular formula of BIM-0005586.P001 is C28H27BrN4O2.
What is the molecular weight of BIM-0005586.P001?
The molecular weight of BIM-0005586.P001 is 530.13 g/mol.
Where can I buy BIM-0005586.P001?
You can request a quote for BIM-0005586.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0005586.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0005586.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.