![CAS 956460-96-1 4-Piperidinecarboxylicacid,4-[[(1,1-diMethylethoxy)carbonyl]aMino]-1-(7H-pyrrolo[2,3-d]pyriMidin-4-yl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/956460-96-1.gif)
CAS RN: 956460-96-1
4-Piperidinecarboxylicacid,4-[[(1,1-diMethylethoxy)carbonyl]aMino]-1-(7H-pyrrolo[2,3-d]pyriMidin-4-yl)-
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.20250616 | 250mg / 500mg / 1g | Out of stock | 30 business days | Inquiry |
- Product code: SSC-211178
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: >97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >97% | 0 Out of Stock | Beijing | Inquiry |
956460-96-1 / 4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
Basic Information
CAS
956460-96-1
Multi CAS
No
Molecular Formula
C17H23N5O4
Molecular Weight
361.400000
Exact Mass
361.175004
InChI
InChI=1S/C17H23N5O4/c1-16(2,3)26-15(25)21-17(14(23)24)5-8-22(9-6-17)13-11-4-7-18-12(11)19-10-20-13/h4,7,10H,5-6,8-9H2,1-3H3,(H,21,25)(H,23,24)(H,18,19,20)
InChIKey
BXOSYQSFTOLZST-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
9
Fraction Csp3
0.53
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
3
Molar refractivity
95.07
TPSA
120.44
LogP / Solubility
WLOGP
1.91
MLOGP
1.7
XLogP3
1.8
Consensus LogP
1.8
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.95
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.57
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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![CAS 956485-60-2 6-BROMO-3-IODO-1H-PYRROLO[3,2-B]PYRIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/956485-60-2.gif)
