![CAS 905580-86-1 N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1H-pyrrolo[2,3-d]pyriMidin-4-aMine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/905580-86-1.gif)
CAS RN: 905580-86-1
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1H-pyrrolo[2,3-d]pyriMidin-4-aMine
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.20260609 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: SSC-203081
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: ≥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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
905580-86-1 / N-(2,3-dihydro-1H-inden-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Basic Information
CAS
905580-86-1
Multi CAS
Yes
Molecular Formula
C15H14N4
Molecular Weight
250.300000
Exact Mass
250.121846
InChI
InChI=1S/C15H14N4/c1-2-4-11-10(3-1)5-6-13(11)19-15-12-7-8-16-14(12)17-9-18-15/h1-4,7-9,13H,5-6H2,(H2,16,17,18,19)/t13-/m0/s1
InChIKey
UVNSDOGOYDQGLY-ZDUSSCGKSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
15
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
75.02
TPSA
53.6
LogP / Solubility
WLOGP
3.06
MLOGP
2.7
XLogP3
2.9
Consensus LogP
2.89
Log S (ESOL)
-3.77
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.06
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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