CAS RN: 2093388-62-4
BETd-260
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250727 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS2093388-62-4
- Purity/Analytical Methods: >99.0%
2093388-62-4 / 4-[(3-cyclopropyl-1-ethylpyrazol-5-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide
Basic Information
CAS
2093388-62-4
Multi CAS
No
Molecular Formula
C43H46N10O6
Molecular Weight
798.900000
Exact Mass
798.360179
SMILES
CCN1C(=CC(=N1)C2CC2)NC3=NC(=NC4=C3C5=CC(=C(C=C5N4)C6=C(ON=C6C)C)OC)C(=O)NCCCCCC7=C8CN(C(=O)C8=CC=C7)C9CCC(=O)NC9=O
InChI
InChI=1S/C43H46N10O6/c1-5-53-34(20-30(50-53)25-13-14-25)46-39-37-27-19-33(58-4)28(36-22(2)51-59-23(36)3)18-31(27)45-38(37)48-40(49-39)42(56)44-17-8-6-7-10-24-11-9-12-26-29(24)21-52(43(26)57)32-15-16-35(54)47-41(32)55/h9,11-12,18-20,25,32H,5-8,10,13-17,21H2,1-4H3,(H,44,56)(H,47,54,55)(H2,45,46,48,49)
InChIKey
UZXANFBIRSYHGO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
59
Aromatic heavy atom count
29
Fraction Csp3
0.4
Rotatable bonds
14
H-bond acceptors
12
H-bond donors
4
Molar refractivity
218.45
TPSA
202.26
LogP / Solubility
WLOGP
6.13
MLOGP
5.47
XLogP3
5.3
Consensus LogP
5.63
Log S (ESOL)
-8.1
Class (ESOL)
Insoluble
Log S (Ali)
-10.54
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.62
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)
-3.24
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
7.5
Customers Also Viewed
-
HJB-97
- CAS RN: 2093391-24-1
- Product Code: starshine_CAS2093391-24-1
- Purity/Analytical method: >99.0%
-
TC13172
- CAS RN: 2093393-05-4
- Product Code: starshine_CAS2093393-05-4
- Purity/Analytical method: >99.0%
-
OTS186935
- CAS RN: 2093400-18-9
- Product Code: starshine_CAS2093400-18-9
- Purity/Analytical method: >99.0%
-
-
4-((2-(2-(2-(2-aminoethoxy)ethoxy)ethoxy)ethyl)amino)-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione
- CAS RN: 2093416-31-8
- Product Code: SSC-099172
-
4-((2-(2-(2-aminoethoxy)ethoxy)ethyl)amino)-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione
- CAS RN: 2093416-32-9
- Product Code: SSC-099173
