CAS RN: 1190322-44-1
4-Chloro-5-Methoxy-7-aza-2-oxindole
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250706 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1190322-44-1
- Purity/Analytical Methods: >99.0%
1190322-44-1 / 4-chloro-5-methoxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
4-CHLORO-5-METHOXY-7-AZA-2-OXINDOLE | MFCD12962885 | 4-Chloro-5-methoxy-1H-pyrrolo[2,3-b]pyridin-2(3H)-one
Basic Information
CAS
1190322-44-1
Multi CAS
No
Molecular Formula
C8H7ClN2O2
Molecular Weight
198.600000
Exact Mass
198.019605
SMILES
COC1=CN=C2C(=C1Cl)CC(=O)N2
InChI
InChI=1S/C8H7ClN2O2/c1-13-5-3-10-8-4(7(5)9)2-6(12)11-8/h3H,2H2,1H3,(H,10,11,12)
InChIKey
QPIMBUTVTZLEDU-UHFFFAOYSA-N
Synonyms
4-CHLORO-5-METHOXY-7-AZA-2-OXINDOLE
MFCD12962885
4-Chloro-5-methoxy-1H-pyrrolo[2,3-b]pyridin-2(3H)-one
4-Chloro-5-methoxy-1,3-dihydro-2H-pyrrolo[2,3-b]pyridin-2-one
4-chloro-5-methoxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.13
TPSA
51.22
LogP / Solubility
WLOGP
1.24
MLOGP
1.09
XLogP3
0.6
Consensus LogP
0.98
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.1
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)
-3.05
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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