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CAS 1190312-75-4 Methyl 4-aza-2-oxindole-6… molecular structure lightbox
CAS RN: 1190312-75-4

Methyl 4-aza-2-oxindole-6…

  • Product code: SSC-019336
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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: 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1190312-75-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1190312-75-4 / methyl 2-oxo-1,3-dihydropyrrolo[3,2-b]pyridine-6-carboxylate

METHYL 2-OXO-1H,2H,3H-PYRROLO[3,2-B]PYRIDINE-6-CARBOXYLATE | methyl 2-oxo-1H,2H,3H-pyrrolo(3,2-b)pyridine-6-carboxylate | RefChem:814579

Standard CAS: 1190312-75-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1190312-75-4
Multi CAS
Yes
Molecular Formula
C9H8N2O3
Molecular Weight
192.170000
Exact Mass
192.053492
SMILES
COC(=O)C1=CC2=C(CC(=O)N2)N=C1
InChI
InChI=1S/C9H8N2O3/c1-14-9(13)5-2-7-6(10-4-5)3-8(12)11-7/h2,4H,3H2,1H3,(H,11,12)
InChIKey
OQXGJLKIVZGRCO-UHFFFAOYSA-N
Synonyms
METHYL 2-OXO-1H,2H,3H-PYRROLO[3,2-B]PYRIDINE-6-CARBOXYLATE methyl 2-oxo-1H,2H,3H-pyrrolo(3,2-b)pyridine-6-carboxylate RefChem:814579 866-826-6 methyl 2-oxo-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine-6-carboxylate

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
47.91
TPSA
68.29

LogP / Solubility

WLOGP
0.36
MLOGP
0.32
XLogP3
-0.4
Consensus LogP
0.09
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.4
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.33
Class (SILICOS-IT)
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)
-3.63

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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