![CAS 1630907-29-7 Methyl 5aMino1Methyl1Hpyrrolo[2,3b]pyridine2 carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1630907-29-7.gif)
CAS RN: 1630907-29-7
Methyl 5aMino1Methyl1Hpyrrolo[2,3b]pyridine2 carboxylate
- Product code: SSC-070784
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 |
1630907-29-7 / methyl 5-amino-1-methylpyrrolo[2,3-b]pyridine-2-carboxylate
Basic Information
CAS
1630907-29-7
Multi CAS
No
Molecular Formula
C10H11N3O2
Molecular Weight
205.210000
Exact Mass
205.085127
SMILES
CN1C(=CC2=CC(=CN=C21)N)C(=O)OC
InChI
InChI=1S/C10H11N3O2/c1-13-8(10(14)15-2)4-6-3-7(11)5-12-9(6)13/h3-5H,11H2,1-2H3
InChIKey
JHAUGTADVWANBK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
56.47
TPSA
70.14
LogP / Solubility
WLOGP
0.94
MLOGP
0.83
XLogP3
0.8
Consensus LogP
0.86
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.9
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)
-3.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 1630933-28-6 4-methyl-7-oxo-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1630933-28-6.gif)