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CAS RN: 1345179-18-1
6-amino-5-iodo-2-(p-tolyl)furo[2,3-b]pyridine-3-carboxylic acid
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260208 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINA927047
1345179-18-1 / 6-amino-5-iodo-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxylic acid
Basic Information
CAS
1345179-18-1
Multi CAS
No
Molecular Formula
C15H11IN2O3
Molecular Weight
394.160000
Exact Mass
393.981440
SMILES
CC1=CC=C(C=C1)C2=C(C3=CC(=C(N=C3O2)N)I)C(=O)O
InChI
InChI=1S/C15H11IN2O3/c1-7-2-4-8(5-3-7)12-11(15(19)20)9-6-10(16)13(17)18-14(9)21-12/h2-6H,1H3,(H2,17,18)(H,19,20)
InChIKey
ADNIJMRXKBVYKS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
88.27
TPSA
89.35
LogP / Solubility
WLOGP
3.69
MLOGP
3.27
XLogP3
3.4
Consensus LogP
3.45
Log S (ESOL)
-5
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.52
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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