![CAS 181285-04-1 Furo[3,2-b]pyridine-2-carboxylicacid,3-amino-,methylester(9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/181285-04-1.gif)
CAS RN: 181285-04-1
Furo[3,2-b]pyridine-2-carboxylicacid,3-amino-,methylester(9CI)
- Product code: SSC-082432
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 |
181285-04-1 / methyl 3-aminofuro[3,2-b]pyridine-2-carboxylate
Basic Information
CAS
181285-04-1
Multi CAS
No
Molecular Formula
C9H8N2O3
Molecular Weight
192.170000
Exact Mass
192.053492
SMILES
COC(=O)C1=C(C2=C(O1)C=CC=N2)N
InChI
InChI=1S/C9H8N2O3/c1-13-9(12)8-6(10)7-5(14-8)3-2-4-11-7/h2-4H,10H2,1H3
InChIKey
XTDFOEWMWUJGRB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
49.76
TPSA
78.35
LogP / Solubility
WLOGP
1.2
MLOGP
1.05
XLogP3
1.4
Consensus LogP
1.22
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.02
Class (SILICOS-IT)
Moderately 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)
-3.04
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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