12H-505S
TL;DR: 12H-505S (CAS 306977-77-5) is a chemical compound with molecular formula C22H22F3N5O and molecular weight 429.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
Also Known As: 12H-505S, 2-({4-[3-(trifluoromethyl)phenyl]piperazino}methyl)-2,6-dihydroimidazo[1,2-c]quinazolin-5(3H)-one, 2-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-5-one, 2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one, 2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-one
| Molecular Formula | C22H22F3N5O |
|---|---|
| Molecular Weight | 429.18 g/mol |
| LogP | 3.0316 |
| Topological Polar Surface Area | 53.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 429.17764 |
| Heavy Atoms | 31 |
| Complexity | 1167.7555 |
Chemical Identifiers
| CAS Number | 306977-77-5 |
|---|---|
| SMILES | C1CN(CCN1CC2CN3C(=C4C=CC=CC4=NC3=O)N2)C5=CC=CC(=C5)C(F)(F)F |
Product Overview
12H-505S (CAS 306977-77-5), with molecular formula C22H22F3N5O and molecular weight 429.18 g/mol. IUPAC: 2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one.
Chemical Property Profile of 12H-505S
Property Insights of 12H-505S
The XLogP value of 3.0316 indicates that 12H-505S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.4 Ų, 12H-505S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12H-505S has 1 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 12H-505S?
The CAS number of 12H-505S is 306977-77-5.
What is the molecular formula of 12H-505S?
The molecular formula of 12H-505S is C22H22F3N5O.
What is the molecular weight of 12H-505S?
The molecular weight of 12H-505S is 429.18 g/mol.
Where can I buy 12H-505S?
You can request a quote for 12H-505S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12H-505S?
Yes, KEHONG BIO provides custom synthesis services for 12H-505S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.