BIM-0022985.P001
TL;DR: BIM-0022985.P001 (CAS 5530-54-1) is a chemical compound with molecular formula C23H22N2O6 and molecular weight 422.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-(4-methoxyphenyl)benzo[de]isoquinoline-1,3-dione
Also Known As: BIM-0022985.P001, 6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-(4-methoxyphenyl)benzo[de]isoquinoline-1,3-dione, 6-{[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino}-2-(4-methoxyphenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, 6-{[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl]amino}-2-(4-methoxyphenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
| Molecular Formula | C23H22N2O6 |
|---|---|
| Molecular Weight | 422.15 g/mol |
| LogP | 1.7766 |
| Topological Polar Surface Area | 119.33 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 422.1478 |
| Heavy Atoms | 31 |
| Complexity | 1124.1758 |
Chemical Identifiers
| CAS Number | 5530-54-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3=C4C(=C(C=C3)NC(CO)(CO)CO)C=CC=C4C2=O |
Product Overview
BIM-0022985.P001 (CAS 5530-54-1), with molecular formula C23H22N2O6 and molecular weight 422.15 g/mol. IUPAC: 6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-(4-methoxyphenyl)benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of BIM-0022985.P001
Property Insights of BIM-0022985.P001
The XLogP value of 1.7766 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0022985.P001. The TPSA of 119.33 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0022985.P001. Following Lipinski's Rule of Five, BIM-0022985.P001 has 4 hydrogen bond donor(s) and 7 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 BIM-0022985.P001?
The CAS number of BIM-0022985.P001 is 5530-54-1.
What is the molecular formula of BIM-0022985.P001?
The molecular formula of BIM-0022985.P001 is C23H22N2O6.
What is the molecular weight of BIM-0022985.P001?
The molecular weight of BIM-0022985.P001 is 422.15 g/mol.
Where can I buy BIM-0022985.P001?
You can request a quote for BIM-0022985.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0022985.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0022985.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.