CAS RN: 1629869-44-8
Pimodivir
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250728 | 2mg / 5mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1629869-44-8
- Purity/Analytical Methods: >99.0%
1629869-44-8 / (2S,3S)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
Basic Information
CAS
1629869-44-8
Multi CAS
No
Molecular Formula
C20H19F2N5O2
Molecular Weight
399.400000
Exact Mass
399.150681
SMILES
C1CC2CCC1[C@@H]([C@H]2NC3=NC(=NC=C3F)C4=CNC5=C4C=C(C=N5)F)C(=O)O
InChI
InChI=1S/C20H19F2N5O2/c21-11-5-12-13(7-24-17(12)23-6-11)18-25-8-14(22)19(27-18)26-16-10-3-1-9(2-4-10)15(16)20(28)29/h5-10,15-16H,1-4H2,(H,23,24)(H,28,29)(H,25,26,27)/t9?,10?,15-,16-/m0/s1
InChIKey
JGPXDNKSIXAZEQ-SBBZOCNPSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
15
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
3
Molar refractivity
101.02
TPSA
103.79
LogP / Solubility
WLOGP
3.6
MLOGP
3.19
XLogP3
3.8
Consensus LogP
3.53
Log S (ESOL)
-4.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.72
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)
-2.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7
Customers Also Viewed
-
NSC 756093
- CAS RN: 1629908-92-4
- Product Code: starshine_CAS1629908-92-4
- Purity/Analytical method: >99.0%
-
3-(Cyclopentyloxy)-2,4-difluorophenylboronic acid
- CAS RN: 1629971-64-7
- Product Code: starshine_CAS1629971-64-7
- Purity/Analytical method: >99.0%
-
2-Methyl-2,6-diaza-spiro[3.3]heptane dihydrochloride
- CAS RN: 1630082-57-3
- Product Code: SSC-070548
-
(S)-2-methyl-1-propylpiperazine dihydrochloride
- CAS RN: 1630082-59-5
- Product Code: starshine_CAS1630082-59-5
- Purity/Analytical method: >99.0%
-
3-Piperidinamine, N,N-dimethyl-, hydrochloride (1:2), (3S)-
- CAS RN: 1630082-61-9
- Product Code: SSC-070549
-
(S)-1-Ethyl-3-methyl-piperazine dihydrochloride
- CAS RN: 1630082-91-5
- Product Code: SSC-070550
![CAS 1630082-57-3 2-Methyl-2,6-diaza-spiro[3.3]heptane dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1630082-57-3.gif)
