![CAS 717900-74-8 tert-butyl 4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)piperidine-1-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/717900-74-8.gif)
CAS RN: 717900-74-8
tert-butyl 4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)piperidine-1-carboxylate
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.20260309 | 5mg / 10mg / 25mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS717900-74-8
- Purity/Analytical Methods: >99.0%
717900-74-8 / tert-butyl 4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)piperidine-1-carboxylate
Basic Information
CAS
717900-74-8
Multi CAS
No
Molecular Formula
C16H21CLN4O2
Molecular Weight
336.810000
Exact Mass
336.135304
InChI
InChI=1S/C16H21ClN4O2/c1-16(2,3)23-15(22)20-7-4-11(5-8-20)21-9-6-12-13(17)18-10-19-14(12)21/h6,9-11H,4-5,7-8H2,1-3H3
InChIKey
UYNZSZPEJZZWAH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
9
Fraction Csp3
0.56
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
88.62
TPSA
60.25
LogP / Solubility
WLOGP
3.66
MLOGP
3.23
XLogP3
2.9
Consensus LogP
3.26
Log S (ESOL)
-4.46
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.96
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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