CAS RN: 2138499-06-4
CDK4/6-IN-4
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.20250504 | 1mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2138499-06-4
- Purity/Analytical Methods: >99.0%
2138499-06-4 / [6-[2-[[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-4-fluoro-1-propan-2-ylbenzimidazol-2-yl]methanol
Basic Information
CAS
2138499-06-4
Multi CAS
No
Molecular Formula
C27H32F2N8O
Molecular Weight
522.600000
Exact Mass
522.266714
SMILES
CCN1CCN(CC1)CC2=CN=C(C=C2)NC3=NC=C(C(=N3)C4=CC5=C(C(=C4)F)N=C(N5C(C)C)CO)F
InChI
InChI=1S/C27H32F2N8O/c1-4-35-7-9-36(10-8-35)15-18-5-6-23(30-13-18)32-27-31-14-21(29)25(34-27)19-11-20(28)26-22(12-19)37(17(2)3)24(16-38)33-26/h5-6,11-14,17,38H,4,7-10,15-16H2,1-3H3,(H,30,31,32,34)
InChIKey
KUJBDJBMXOTNIT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
21
Fraction Csp3
0.41
Rotatable bonds
8
H-bond acceptors
9
H-bond donors
2
Molar refractivity
141.89
TPSA
95.23
LogP / Solubility
WLOGP
4.12
MLOGP
3.67
XLogP3
2.6
Consensus LogP
3.46
Log S (ESOL)
-5.56
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.82
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.44
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)
-2.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
Customers Also Viewed
-
3-ethyl 5-methyl 2-((2-aminoethoxy)methyl)-4-(2-chlorophenyl) -6-methylpyridine-3,5-dicarboxylate fumarate
- CAS RN: 2138811-33-1
- Product Code: SSC-102546
-
-
Ethanone, 1-[3-bromo-4-(4-fluoro-2,6-dimethylphenoxy)phenyl]-
- CAS RN: 2138863-82-6
- Product Code: SSC-102549
-
-
THAL-SNS-032
- CAS RN: 2139287-33-3
- Product Code: starshine_CAS2139287-33-3
- Purity/Analytical method: >99.0%
-
SERCA2a activator A
- CAS RN: 2139330-34-8
- Product Code: starshine_CAS2139330-34-8
- Purity/Analytical method: >99.0%
![CAS 2138863-82-6 Ethanone, 1-[3-bromo-4-(4-fluoro-2,6-dimethylphenoxy)phenyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2138863-82-6.png)
