CAS RN: 147269-68-9
3-(benzyloxy)carbonyl>amino>-5-iodopyrid-2-one
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250604 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINB927119
147269-68-9 / benzyl N-(5-iodo-2-oxo-1H-pyridin-3-yl)carbamate
Basic Information
CAS
147269-68-9
Multi CAS
No
Molecular Formula
C13H11IN2O3
Molecular Weight
370.140000
Exact Mass
369.981440
SMILES
C1=CC=C(C=C1)COC(=O)NC2=CC(=CNC2=O)I
InChI
InChI=1S/C13H11IN2O3/c14-10-6-11(12(17)15-7-10)16-13(18)19-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,15,17)(H,16,18)
InChIKey
VHYSSNYCKHBKPQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
80.03
TPSA
71.19
LogP / Solubility
WLOGP
2.73
MLOGP
2.42
XLogP3
1.7
Consensus LogP
2.28
Log S (ESOL)
-4.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.69
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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