![CAS 815592-21-3 4-(cyclohexyloxy)-2-(1-(4-[(4-Methoxybenzene)sulfonyl]piperazin-1-yl)ethyl)quinazoline molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/815592-21-3.gif)
CAS RN: 815592-21-3
4-(cyclohexyloxy)-2-(1-(4-[(4-Methoxybenzene)sulfonyl]piperazin-1-yl)ethyl)quinazoline
- Product code: SSC-189955
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
815592-21-3 / 4-cyclohexyloxy-2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]quinazoline
Basic Information
CAS
815592-21-3
Multi CAS
No
Molecular Formula
C27H34N4O4S
Molecular Weight
510.600000
Exact Mass
510.230077
InChI
InChI=1S/C27H34N4O4S/c1-20(30-16-18-31(19-17-30)36(32,33)23-14-12-21(34-2)13-15-23)26-28-25-11-7-6-10-24(25)27(29-26)35-22-8-4-3-5-9-22/h6-7,10-15,20,22H,3-5,8-9,16-19H2,1-2H3
InChIKey
FJNFVCAHHFNREI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
16
Fraction Csp3
0.48
Rotatable bonds
7
H-bond acceptors
7
Molar refractivity
138.78
TPSA
84.86
LogP / Solubility
WLOGP
4.42
MLOGP
3.92
XLogP3
4.5
Consensus LogP
4.28
Log S (ESOL)
-5.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.94
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.49
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-2.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5
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