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CAS 1001162-89-5 2-Borono-1H-indol-1-carboxylic acid 1-Methyl ester molecular structure lightbox
CAS RN: 1001162-89-5

2-Borono-1H-indol-1-carboxylic acid 1-Methyl ester

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260624 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-000465
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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: ≥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 1001162-89-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

1001162-89-5 / (1-methoxycarbonylindol-2-yl)boronic acid

1001162-89-5 | (1-(Methoxycarbonyl)-1H-indol-2-yl)boronic acid | 1-(N-Methoxycarbonyl)indole-2-boronic acid

Standard CAS: 1001162-89-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1001162-89-5
Multi CAS
No
Molecular Formula
C10H10BNO4
Molecular Weight
219.000000
Exact Mass
219.070288
SMILES
B(C1=CC2=CC=CC=C2N1C(=O)OC)(O)O
InChI
InChI=1S/C10H10BNO4/c1-16-10(13)12-8-5-3-2-4-7(8)6-9(12)11(14)15/h2-6,14-15H,1H3
InChIKey
BYSPSIQMPUCCRP-UHFFFAOYSA-N
Synonyms
1001162-89-5 (1-(Methoxycarbonyl)-1H-indol-2-yl)boronic acid 1-(N-Methoxycarbonyl)indole-2-boronic acid (1-methoxycarbonylindol-2-yl)boronic acid MFCD22123264

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
2
Molar refractivity
59.57
TPSA
71.69

LogP / Solubility

WLOGP
-0.06
MLOGP
-0.05
XLogP3
-0.06
Consensus LogP
-0.06
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.31
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.15
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)
-4.1

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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