CAS RN: 1538593-71-3
Piperazine Erastin
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.20250822 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1538593-71-3
- Purity/Analytical Methods: >99.0%
1538593-71-3 / 2-[[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]methyl]-3-[5-(piperazin-1-ylmethyl)-2-propan-2-yloxyphenyl]quinazolin-4-one
Basic Information
CAS
1538593-71-3
Multi CAS
No
Molecular Formula
C35H41ClN6O4
Molecular Weight
645.200000
Exact Mass
644.287782
SMILES
CC(C)OC1=C(C=C(C=C1)CN2CCNCC2)N3C(=NC4=CC=CC=C4C3=O)CN5CCN(CC5)C(=O)COC6=CC=C(C=C6)Cl
InChI
InChI=1S/C35H41ClN6O4/c1-25(2)46-32-12-7-26(22-39-15-13-37-14-16-39)21-31(32)42-33(38-30-6-4-3-5-29(30)35(42)44)23-40-17-19-41(20-18-40)34(43)24-45-28-10-8-27(36)9-11-28/h3-12,21,25,37H,13-20,22-24H2,1-2H3
InChIKey
XGKULGPEBBYKCA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
46
Aromatic heavy atom count
22
Fraction Csp3
0.4
Rotatable bonds
10
H-bond acceptors
9
H-bond donors
1
Molar refractivity
180.05
TPSA
92.17
LogP / Solubility
WLOGP
3.95
MLOGP
3.53
XLogP3
4
Consensus LogP
3.83
Log S (ESOL)
-6.03
Class (ESOL)
Insoluble
Log S (Ali)
-7.71
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.34
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)
-3.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5
Customers Also Viewed
-
-
2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazoline
- CAS RN: 1538605-06-9
- Product Code: SSC-063235
-
3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
- CAS RN: 1538623-41-4
- Product Code: SSC-063238
-
-
4-((5-chloro-3-fluoropyridin-2-yl)oxy)benzonitrile
- CAS RN: 1538764-41-8
- Product Code: SSC-063258
-
![CAS 1538734-96-1 3,6-Diazabicyclo[3.1.1]heptane, 6-methyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1538734-96-1.gif)
