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CAS 213670-35-0 6-Carboxyisatin methyl es… molecular structure lightbox
CAS RN: 213670-35-0

6-Carboxyisatin methyl es…

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250730 100mg In stock Shanghai Inquiry
Batchno.20251111 1g In stock Shanghai Inquiry
Batchno.20250130 250mg In stock Shanghai Inquiry
  • Product code: SSC-102022
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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: 1g
  • 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 213670-35-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

213670-35-0 / methyl 2,3-dioxo-1H-indole-6-carboxylate

Standard CAS: 213670-35-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
213670-35-0
Multi CAS
No
Molecular Formula
C10H7NO4
Molecular Weight
205.170000
Exact Mass
205.037508
SMILES
COC(=O)C1=CC2=C(C=C1)C(=O)C(=O)N2
InChI
InChI=1S/C10H7NO4/c1-15-10(14)5-2-3-6-7(4-5)11-9(13)8(6)12/h2-4H,1H3,(H,11,12,13)
InChIKey
WUSOZUAKIZDOTD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
50.74
TPSA
72.47

LogP / Solubility

WLOGP
0.61
MLOGP
0.54
XLogP3
0.5
Consensus LogP
0.55
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.62
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)
-3.54

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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