CAS RN: 2174002-29-8
Palbociclib Impurity N-Oxide
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.20250917 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2174002-29-8
- Purity/Analytical Methods: >99.0%
2174002-29-8 / 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-(1-oxidopiperazin-1-ium-1-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one
Basic Information
CAS
2174002-29-8
Multi CAS
No
Molecular Formula
C24H29N7O3
Molecular Weight
463.500000
Exact Mass
463.233188
SMILES
CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)[N+]4(CCNCC4)[O-])C5CCCC5)C(=O)C
InChI
InChI=1S/C24H29N7O3/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)31(34)11-9-25-10-12-31)29-22(19)30(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29)
InChIKey
ZDIMBNTYWUUTJC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
16
Fraction Csp3
0.46
Rotatable bonds
5
H-bond acceptors
9
H-bond donors
2
Molar refractivity
131.33
TPSA
124.86
LogP / Solubility
WLOGP
2.96
MLOGP
2.64
XLogP3
1
Consensus LogP
2.2
Log S (ESOL)
-4.6
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.73
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
![CAS 2174007-89-5 Carbamic acid, N-[[4-(hydroxymethyl)-2-oxabicyclo[2.1.1]hex-1-yl]methyl]-, 1,1-dimethylethyl ester molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Carbamic acid, N-[[4-(hydroxymethyl)-2-oxabicyclo[2.1.1]hex-1-yl]methyl]-, 1,1-dimethylethyl ester
- CAS RN: 2174007-89-5
- Product Code: SSC-105004
-
4-(3-Dibenzofuranyl)benzenamine
- CAS RN: 2174904-30-2
- Product Code: starshine_CAS2174904-30-2
- Purity/Analytical method: >99.0%
-
R)-(1-(2,4-Dichlorophenyl)ethyl)hydrazine hydrochloride
- CAS RN: 2174940-53-3
- Product Code: SSC-105036
-
(R)-tert-butyl 3-(piperidin-3-yl)azetidine-1-carboxylate
- CAS RN: 2174940-65-7
- Product Code: SSC-105038
-
(2-methoxy-9,9-dimethyl-9H-fluoren-3-yl)boronic acid
- CAS RN: 2177237-24-8
- Product Code: SSC-105076
-
4-bromo-2-methyl-2H-pyrazolo[3,4-c]pyridine
- CAS RN: 2177257-61-1
- Product Code: starshine_CAS2177257-61-1
- Purity/Analytical method: >99.0%
![CAS 2174007-89-5 Carbamic acid, N-[[4-(hydroxymethyl)-2-oxabicyclo[2.1.1]hex-1-yl]methyl]-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2174007-89-5.png)
![CAS 2177257-61-1 4-bromo-2-methyl-2H-pyrazolo[3,4-c]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2177257-61-1.png)