CAS RN: 2101200-10-4
PROTAC BRD4-binding moiety 1
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.20260408 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2101200-10-4
- Purity/Analytical Methods: >99.0%
2101200-10-4 / 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-4-phenyl-3-prop-2-ynyl-4H-quinazolin-2-one
Basic Information
CAS
2101200-10-4
Multi CAS
No
Molecular Formula
C23H21N3O2
Molecular Weight
371.400000
Exact Mass
371.163377
SMILES
CC1=C(C(=NO1)C)C2=CC3=C(C=C2)N(C(=O)N(C3C4=CC=CC=C4)CC#C)C
InChI
InChI=1S/C23H21N3O2/c1-5-13-26-22(17-9-7-6-8-10-17)19-14-18(21-15(2)24-28-16(21)3)11-12-20(19)25(4)23(26)27/h1,6-12,14,22H,13H2,2-4H3
InChIKey
ZKJVDZJHVLJOKO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
17
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
109.04
TPSA
49.58
LogP / Solubility
WLOGP
4.55
MLOGP
4.03
XLogP3
3.5
Consensus LogP
4.03
Log S (ESOL)
-5.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.89
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.21
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
tert-butyl 3-fluoro-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylate
- CAS RN: 2101206-18-0
- Product Code: starshine_CAS2101206-18-0
- Purity/Analytical method: >99.0%
-
2,3,4,5,6-Pentafluorophenyl 3-[2-(2-{2-[(4-formylphenyl)formamido]ethoxy}ethoxy)ethoxy]propanoate
- CAS RN: 2101206-21-5
- Product Code: starshine_CAS2101206-21-5
- Purity/Analytical method: >99.0%
-
2,5-Dioxopyrrolidin-1-yl 11-oxo-4,7,13-trioxa-10-azahexadec-15-yn-1-oate
- CAS RN: 2101206-30-6
- Product Code: starshine_CAS2101206-30-6
- Purity/Analytical method: >99.0%
-
2,5-Dioxopyrrolidin-1-yl 3-(2-(2-(1,3-dioxoisoindolin-2-yloxy)ethoxy)ethoxy)propanoate
- CAS RN: 2101206-31-7
- Product Code: SSC-099912
-
Propanoic acid, 3-[2-[2-[2-[(4-formylbenzoyl)amino]ethoxy]ethoxy]ethoxy]-, 2,5-dioxo-1-pyrrolidinyl ester
- CAS RN: 2101206-32-8
- Product Code: starshine_CAS2101206-32-8
- Purity/Analytical method: >99.0%
-
Py-ds-dMBut-OPFP
- CAS RN: 2101206-44-2
- Product Code: starshine_CAS2101206-44-2
- Purity/Analytical method: >99.0%
![CAS 2101206-21-5 2,3,4,5,6-Pentafluorophenyl 3-[2-(2-{2-[(4-formylphenyl)formamido]ethoxy}ethoxy)ethoxy]propanoate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2101206-21-5.png)
![CAS 2101206-32-8 Propanoic acid, 3-[2-[2-[2-[(4-formylbenzoyl)amino]ethoxy]ethoxy]ethoxy]-, 2,5-dioxo-1-pyrrolidinyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2101206-32-8.png)
