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CAS 1373273-48-3 (1-tert-butoxycarbonylpyrrolo[2,3-c]pyridin-2-yl)boronic acid molecular structure lightbox
CAS RN: 1373273-48-3

(1-tert-butoxycarbonylpyrrolo[2,3-c]pyridin-2-yl)boronic acid

  • Product code: SSC-046830
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 1373273-48-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Shanghai Inquiry
0.25g >95% 5 In Stock Shenzhen Inquiry
1g >95% 5 In Stock Hong Kong Inquiry
5g >95% 5 In Stock Beijing Inquiry

1373273-48-3 / [1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]boronic acid

Standard CAS: 1373273-48-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1373273-48-3
Multi CAS
No
Molecular Formula
C12H15BN2O4
Molecular Weight
262.070000
Exact Mass
262.112487
SMILES
B(C1=CC2=C(N1C(=O)OC(C)(C)C)C=NC=C2)(O)O
InChI
InChI=1S/C12H15BN2O4/c1-12(2,3)19-11(16)15-9-7-14-5-4-8(9)6-10(15)13(17)18/h4-7,17-18H,1-3H3
InChIKey
VCSYTSRDQUHTPH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
2
Molar refractivity
71.19
TPSA
84.58

LogP / Solubility

WLOGP
0.5
MLOGP
0.45
XLogP3
0.5
Consensus LogP
0.48
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.9
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.96

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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