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CAS 135884-31-0 1-(tert-Butoxycarbonyl)-2-pyrroleboronic Acid (contains varying amounts of Anhydride) molecular structure lightbox
CAS RN: 135884-31-0

1-(tert-Butoxycarbonyl)-2-pyrroleboronic Acid (contains varying amounts of Anhydride)

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260218 250mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
  • Product code: SSC-044471
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 100g, 25g, 500g
  • Available purity: >98%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 135884-31-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >98% 5 In Stock Shanghai Inquiry
5g >98% 5 In Stock Shenzhen Inquiry
10g >98% 5 In Stock Beijing Inquiry
100g >98% 5 In Stock Shanghai Inquiry
25g >98% 2 In Stock Shenzhen Inquiry
500g >98% 0 Out of Stock Beijing Inquiry

135884-31-0 / [1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]boronic acid

Standard CAS: 135884-31-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
135884-31-0
Multi CAS
No
Molecular Formula
C9H14BNO4
Molecular Weight
211.030000
Exact Mass
211.101588
SMILES
B(C1=CC=CN1C(=O)OC(C)(C)C)(O)O
InChI
InChI=1S/C9H14BNO4/c1-9(2,3)15-8(12)11-6-4-5-7(11)10(13)14/h4-6,13-14H,1-3H3
InChIKey
ZWGMJLNXIVRFRJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.44
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
2
Molar refractivity
55.89
TPSA
71.69

LogP / Solubility

WLOGP
-0.05
MLOGP
-0.04
XLogP3
-0.05
Consensus LogP
-0.05
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-1.26
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.11
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)
-4.04

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (11.1%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (88.9%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (88.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (11.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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