![CAS 923604-58-4 Cyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxylic acid, 2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydro-2-[[7-Methoxy-8-Methyl-2-[4-(1-Methylethyl)-2-thiazolyl]-4-quinolinyl]oxy]-5-Methyl-4,14-dioxo-, (2R,3aR,10Z,11aS,12aR,14aR)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/923604-58-4.gif)
CAS RN: 923604-58-4
Cyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxylic acid, 2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydro-2-[[7-Methoxy-8-Methyl-2-[4-(1-Methylethyl)-2-thiazolyl]-4-quinolinyl]oxy]-5-Methyl-4,14-dioxo-, (2R,3aR,10Z,11aS,12aR,14aR)-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250112 | 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS923604-58-4
- Purity/Analytical Methods: >99.0%
923604-58-4 / (1R,4R,6S,7Z,15R,17R)-17-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxylic acid
Basic Information
CAS
923604-58-4
Multi CAS
Yes
Molecular Formula
C35H42N4O6S
Molecular Weight
646.800000
Exact Mass
646.282506
InChI
InChI=1S/C35H42N4O6S/c1-19(2)27-18-46-32(37-27)26-16-29(23-11-12-28(44-5)20(3)30(23)36-26)45-22-14-24-25(15-22)33(41)39(4)13-9-7-6-8-10-21-17-35(21,34(42)43)38-31(24)40/h8,10-12,16,18-19,21-22,24-25H,6-7,9,13-15,17H2,1-5H3,(H,38,40)(H,42,43)/b10-8-/t21-,22-,24-,25-,35-/m1/s1
InChIKey
XQOBFRSIHBMNMC-PLGQPLIWSA-N
Computed Properties
Structural Parameters
Heavy atom count
46
Aromatic heavy atom count
15
Fraction Csp3
0.51
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
2
Molar refractivity
176.1
TPSA
130.95
LogP / Solubility
WLOGP
5.73
MLOGP
5.1
XLogP3
4.9
Consensus LogP
5.24
Log S (ESOL)
-7.31
Class (ESOL)
Insoluble
Log S (Ali)
-9
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.34
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.6
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
9.5
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