![CAS 913983-30-9 3-IODO-5-METHOXY-1H-PYRROLO[3,2-B]PYRIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/913983-30-9.gif)
CAS RN: 913983-30-9
3-IODO-5-METHOXY-1H-PYRROLO[3,2-B]PYRIDINE
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS913983-30-9
- Purity/Analytical Methods: >99.0%
913983-30-9 / 3-iodo-5-methoxy-1H-pyrrolo[3,2-b]pyridine
Basic Information
CAS
913983-30-9
Multi CAS
No
Molecular Formula
C8H7In2O
Molecular Weight
274.060000
Exact Mass
273.960310
InChI
InChI=1S/C8H7IN2O/c1-12-7-3-2-6-8(11-7)5(9)4-10-6/h2-4,10H,1H3
InChIKey
IQHSOIXTQSRBLZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
55.36
TPSA
37.91
LogP / Solubility
WLOGP
2.18
MLOGP
1.92
XLogP3
2
Consensus LogP
2.03
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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