![CAS 1638767-76-6 7H-pyrrolo[2,3-d]pyrimidin-4-ylmethanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1638767-76-6.gif)
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 | Shanghai | Inquiry |
1638767-76-6 / 7H-pyrrolo[2,3-d]pyrimidin-4-ylmethanol
Basic Information
CAS
1638767-76-6
Multi CAS
No
Molecular Formula
C7H7N3O
Molecular Weight
149.150000
Exact Mass
149.058912
SMILES
C1=CNC2=NC=NC(=C21)CO
InChI
InChI=1S/C7H7N3O/c11-3-6-5-1-2-8-7(5)10-4-9-6/h1-2,4,11H,3H2,(H,8,9,10)
InChIKey
IXLIHYTYGQZMTO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
39.81
TPSA
61.8
LogP / Solubility
WLOGP
0.45
MLOGP
0.39
XLogP3
-0.2
Consensus LogP
0.21
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-1.11
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.12
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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