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CAS 1620575-00-9 3-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine molecular structure lightbox
CAS RN: 1620575-00-9

3-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

  • Product code: SSC-069579
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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: 0.01g, 0.025g, 0.05g, 0.1g
  • Available purity: >97%
  • Inventory rows with stock: 1
  • 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 1620575-00-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.01g >97% 1 In Stock Hong Kong Inquiry
0.025g >97% 0 Out of Stock Shenzhen Inquiry
0.05g >97% 0 Out of Stock Beijing Inquiry
0.1g >97% 0 Out of Stock Shenzhen Inquiry

1620575-00-9 / 3-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

Standard CAS: 1620575-00-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1620575-00-9
Multi CAS
No
Molecular Formula
C14H21BN2O2
Molecular Weight
260.140000
Exact Mass
260.169608
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)N)C3CC3
InChI
InChI=1S/C14H21BN2O2/c1-13(2)14(3,4)19-15(18-13)10-7-11(9-5-6-9)12(16)17-8-10/h7-9H,5-6H2,1-4H3,(H2,16,17)
InChIKey
YLUSRQDGDJSFIE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.64
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
76.34
TPSA
57.37

LogP / Solubility

WLOGP
1.84
MLOGP
1.63
XLogP3
1.84
Consensus LogP
1.77
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.12
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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