3M-513S
TL;DR: 3M-513S (CAS 338414-92-9) is a chemical compound with molecular formula C20H18N2O2 and molecular weight 318.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(cyclopropanecarbonyl)-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one
Also Known As: 3M-513S, VU0477779-1, 1-(cyclopropylcarbonyl)-9b-phenyl-1,2,3,9b-tetrahydro-5H-imidazo[2,1-a]isoindol-5-one, 1-(cyclopropanecarbonyl)-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one, 1-cyclopropanecarbonyl-9b-phenyl-1H,2H,3H,5H,9bH-imidazo[2,1-a]isoindol-5-one
| Molecular Formula | C20H18N2O2 |
|---|---|
| Molecular Weight | 318.14 g/mol |
| LogP | 2.5957 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 318.13684 |
| Heavy Atoms | 24 |
| Complexity | 843.7272 |
Chemical Identifiers
| CAS Number | 338414-92-9 |
|---|---|
| SMILES | C1CC1C(=O)N2CCN3C2(C4=CC=CC=C4C3=O)C5=CC=CC=C5 |
Product Overview
3M-513S (CAS 338414-92-9), with molecular formula C20H18N2O2 and molecular weight 318.14 g/mol. IUPAC: 1-(cyclopropanecarbonyl)-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one.
Chemical Property Profile of 3M-513S
Property Insights of 3M-513S
The XLogP value of 2.5957 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3M-513S. With a topological polar surface area (TPSA) of 40.62 Ų, 3M-513S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3M-513S has 0 hydrogen bond donor(s) and 2 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 3M-513S?
The CAS number of 3M-513S is 338414-92-9.
What is the molecular formula of 3M-513S?
The molecular formula of 3M-513S is C20H18N2O2.
What is the molecular weight of 3M-513S?
The molecular weight of 3M-513S is 318.14 g/mol.
Where can I buy 3M-513S?
You can request a quote for 3M-513S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3M-513S?
Yes, KEHONG BIO provides custom synthesis services for 3M-513S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.