CAS RN: 1640971-51-2
Tofacitinib Impurity 77
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.20250727 | 1mg / 5mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1640971-51-2
- Purity/Analytical Methods: >99.0%
1640971-51-2 / 3-[(3R,4R)-4-methyl-3-[methyl-(6-oxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile
Basic Information
CAS
1640971-51-2
Multi CAS
No
Molecular Formula
C16H20N6O2
Molecular Weight
328.370000
Exact Mass
328.164774
SMILES
C[C@@H]1CCN(C[C@@H]1N(C)C2=NC=NC3=C2CC(=O)N3)C(=O)CC#N
InChI
InChI=1S/C16H20N6O2/c1-10-4-6-22(14(24)3-5-17)8-12(10)21(2)16-11-7-13(23)20-15(11)18-9-19-16/h9-10,12H,3-4,6-8H2,1-2H3,(H,18,19,20,23)/t10-,12+/m1/s1
InChIKey
FIQMDRYZOUHVEZ-PWSUYJOCSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
87.15
TPSA
102.22
LogP / Solubility
WLOGP
0.56
MLOGP
0.51
XLogP3
0.2
Consensus LogP
0.42
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
Customers Also Viewed
-
![CAS 1640971-60-3 (3R,4R)-3-[(6-amino-4-pyrimidinyl)methylamino]-4-methyl-β-oxo-1-Piperidinepropanenitrile molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
(3R,4R)-3-[(6-amino-4-pyrimidinyl)methylamino]-4-methyl-β-oxo-1-Piperidinepropanenitrile
- CAS RN: 1640971-60-3
- Product Code: starshine_CAS1640971-60-3
- Purity/Analytical method: >99.0%
-
2,6-bis[4-(diphenylamino)phenyl]- 9,10-Anthracenedione
- CAS RN: 1640978-33-1
- Product Code: starshine_CAS1640978-33-1
- Purity/Analytical method: >99.0%
-
Butanedioic acid, 2-[[2-methyl-1-(phenylmethyl)-1H-imidazol-5-yl]methylene]-, 1-ethyl ester, (2E)-
- CAS RN: 1640981-02-7
- Product Code: SSC-071618
-
1-benzyl-4-hydroxy-2-methyl-1H-benzo[d]imidazole-6-carboxylic acid
- CAS RN: 1640981-19-6
- Product Code: SSC-071620
-
1H-Benzimidazole-6-carboxamide, 4-hydroxy-N,N,2-trimethyl-1-(phenylmethyl)-
- CAS RN: 1640981-20-9
- Product Code: SSC-071621
-
![CAS 1640971-60-3 (3R,4R)-3-[(6-amino-4-pyrimidinyl)methylamino]-4-methyl-β-oxo-1-Piperidinepropanenitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1640971-60-3.gif)
![CAS 1640978-33-1 2,6-bis[4-(diphenylamino)phenyl]- 9,10-Anthracenedione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1640978-33-1.gif)
![CAS 1640981-02-7 Butanedioic acid, 2-[[2-methyl-1-(phenylmethyl)-1H-imidazol-5-yl]methylene]-, 1-ethyl ester, (2E)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1640981-02-7.gif)
![CAS 1640981-19-6 1-benzyl-4-hydroxy-2-methyl-1H-benzo[d]imidazole-6-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1640981-19-6.gif)
