![CAS 2448173-47-3 Carbamic acid, N-[(3R)-1-[[2-[[[4-[4-(4-morpholinyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]amino]carbonyl]-4-pyridinyl]methyl]-3-piperidinyl]-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2448173-47-3.gif)
CAS RN: 2448173-47-3
Carbamic acid, N-[(3R)-1-[[2-[[[4-[4-(4-morpholinyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]amino]carbonyl]-4-pyridinyl]methyl]-3-piperidinyl]-, 1,1-dimethylethyl ester
Product Availability
Choose a grade to view its available package options.
6 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260404 | 1mg / 5mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-119101
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: 0.25g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
2448173-47-3 / tert-butyl N-[(3R)-1-[[2-[[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]carbamoyl]-4-pyridinyl]methyl]piperidin-3-yl]carbamate
Basic Information
CAS
2448173-47-3
Multi CAS
No
Molecular Formula
C33H40N8O4
Molecular Weight
612.700000
Exact Mass
612.317252
SMILES
CC(C)(C)OC(=O)N[C@@H]1CCCN(C1)CC2=CC(=NC=C2)C(=O)NC3=CC=C(C=C3)C4=CC5=C(N4)N=CN=C5N6CCOCC6
InChI
InChI=1S/C33H40N8O4/c1-33(2,3)45-32(43)38-25-5-4-12-40(20-25)19-22-10-11-34-28(17-22)31(42)37-24-8-6-23(7-9-24)27-18-26-29(39-27)35-21-36-30(26)41-13-15-44-16-14-41/h6-11,17-18,21,25H,4-5,12-16,19-20H2,1-3H3,(H,37,42)(H,38,43)(H,35,36,39)/t25-/m1/s1
InChIKey
MPFHTFMFYAODPE-RUZDIDTESA-N
Computed Properties
Structural Parameters
Heavy atom count
45
Aromatic heavy atom count
21
Fraction Csp3
0.42
Rotatable bonds
7
H-bond acceptors
9
H-bond donors
3
Molar refractivity
172.22
TPSA
137.6
LogP / Solubility
WLOGP
4.6
MLOGP
4.1
XLogP3
3.6
Consensus LogP
4.1
Log S (ESOL)
-6.42
Class (ESOL)
Insoluble
Log S (Ali)
-7.9
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.3
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6
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