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CAS 1168150-46-6 (3E)-2,3-Dihydro-3-(methoxyphenylmethylene)-2-oxo-1H-indole-6-carboxylic acid methyl ester molecular structure lightbox
CAS RN: 1168150-46-6

(3E)-2,3-Dihydro-3-(methoxyphenylmethylene)-2-oxo-1H-indole-6-carboxylic acid methyl ester

Product Availability

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8 package records8 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260228 1g In stock Inquiry
Batchno.20260219 250mg In stock Inquiry
Batchno.20250815 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260528 1g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250413 250mg In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251013 25g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251210 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260115 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-016718
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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: 5g
  • Available purity: ＞97%
  • 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 1168150-46-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

1168150-46-6 / methyl (3E)-3-[methoxy(phenyl)methylidene]-2-oxo-1H-indole-6-carboxylate

Methyl (3E)-2,3-dihydro-3-(methoxyphenylmethylene)-2-oxo-1H-indole-6-carboxylate | RefChem:353044 | (E)-methyl 3-(methoxy(phenyl)methylene)-2-oxoindoline-6-carboxylate

Standard CAS: 1168150-46-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1168150-46-6
Multi CAS
Yes
Molecular Formula
C18H15NO4
Molecular Weight
309.300000
Exact Mass
309.100108
SMILES
CO/C(=C/1\C2=C(C=C(C=C2)C(=O)OC)NC1=O)/C3=CC=CC=C3
InChI
InChI=1S/C18H15NO4/c1-22-16(11-6-4-3-5-7-11)15-13-9-8-12(18(21)23-2)10-14(13)19-17(15)20/h3-10H,1-2H3,(H,19,20)/b16-15+
InChIKey
WUVZENIISJMEHI-FOCLMDBBSA-N
Synonyms
Methyl (3E)-2,3-dihydro-3-(methoxyphenylmethylene)-2-oxo-1H-indole-6-carboxylate RefChem:353044 (E)-methyl 3-(methoxy(phenyl)methylene)-2-oxoindoline-6-carboxylate (3E)-2,3-Dihydro-3-(methoxyphenylmethylene)-2-oxo-1H-indole-6-carboxylic acid methyl ester MFCD28139165

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.11
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
86.68
TPSA
64.63

LogP / Solubility

WLOGP
2.94
MLOGP
2.6
XLogP3
2.5
Consensus LogP
2.68
Log S (ESOL)
-3.8
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.47
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
No
Log Kp (skin permeation)
-2.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 4 of 4 companies. For more detailed information, please visit ECHA C&L website.

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