![CAS 2417089-74-6 3-Acridinecarboxamide, 9-chloro-5,6,7,8-tetrahydro-N-[(4S)-5-[4-hydroxy-4-[[7-[[3-(4-methyl-1-piperazinyl)-1-oxopropyl]amino]-4-oxo-3(4H)-quinazolinyl]methyl]-1-piperidinyl]-5-oxo-4-(phenylmethyl)pentyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2417089-74-6.gif)
CAS RN: 2417089-74-6
3-Acridinecarboxamide, 9-chloro-5,6,7,8-tetrahydro-N-[(4S)-5-[4-hydroxy-4-[[7-[[3-(4-methyl-1-piperazinyl)-1-oxopropyl]amino]-4-oxo-3(4H)-quinazolinyl]methyl]-1-piperidinyl]-5-oxo-4-(phenylmethyl)pentyl]-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250226 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2417089-74-6
- Purity/Analytical Methods: >99.0%
2417089-74-6 / N-[4-benzyl-5-[4-hydroxy-4-[[7-[3-(4-methylpiperazin-1-yl)propanoylamino]-4-oxoquinazolin-3-yl]methyl]piperidin-1-yl]-5-oxopentyl]-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide
Basic Information
CAS
2417089-74-6
Multi CAS
No
Molecular Formula
C48H57ClN8O5
Molecular Weight
861.500000
Exact Mass
860.414045
SMILES
CN1CCN(CC1)CCC(=O)NC2=CC3=C(C=C2)C(=O)N(C=N3)CC4(CCN(CC4)C(=O)C(CCCNC(=O)C5=CC6=C(C=C5)C(=C7CCCCC7=N6)Cl)CC8=CC=CC=C8)O
InChI
InChI=1S/C48H57ClN8O5/c1-54-24-26-55(27-25-54)21-17-43(58)52-36-14-16-39-41(30-36)51-32-57(47(39)61)31-48(62)18-22-56(23-19-48)46(60)35(28-33-8-3-2-4-9-33)10-7-20-50-45(59)34-13-15-38-42(29-34)53-40-12-6-5-11-37(40)44(38)49/h2-4,8-9,13-16,29-30,32,35,62H,5-7,10-12,17-28,31H2,1H3,(H,50,59)(H,52,58)/t35-/m0/s1
InChIKey
UYJWYMWIVMCGQZ-DHUJRADRSA-N
Computed Properties
Structural Parameters
Heavy atom count
62
Aromatic heavy atom count
26
Fraction Csp3
0.46
Rotatable bonds
14
H-bond acceptors
10
H-bond donors
3
Molar refractivity
242.55
TPSA
153
LogP / Solubility
WLOGP
5.48
MLOGP
4.9
XLogP3
4.8
Consensus LogP
5.06
Log S (ESOL)
-8.02
Class (ESOL)
Insoluble
Log S (Ali)
-10.58
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.48
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.09
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7
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![CAS 2417321-37-8 Pyridine, 2-[(4R,5S)-4,5-dihydro-4,5-diphenyl-2-oxazolyl]-6-methyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2417321-37-8.gif)
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