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CAS 1384313-38-5 Methyl (3-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbaMate molecular structure lightbox
CAS RN: 1384313-38-5

Methyl (3-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbaMate

  • Product code: SSC-048413
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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, 1g, 0.25g, 5g, 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 10
  • 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 1384313-38-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 5 In Stock Shenzhen Inquiry
0.1g ≥95% 5 In Stock Hong Kong Inquiry
1g -- 5 In Stock Hong Kong Inquiry
1g ≥95% 5 In Stock Hong Kong Inquiry
0.25g -- 3 In Stock Beijing Inquiry
0.25g ≥95% 3 In Stock Shenzhen Inquiry
5g -- 2 In Stock Hong Kong Inquiry
5g ≥95% 2 In Stock Shenzhen Inquiry
10g -- 2 In Stock Shenzhen Inquiry
10g ≥95% 2 In Stock Beijing Inquiry

1384313-38-5 / methyl N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate

Standard CAS: 1384313-38-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1384313-38-5
Multi CAS
No
Molecular Formula
C14H20BNO4
Molecular Weight
277.130000
Exact Mass
277.148538
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)NC(=O)OC
InChI
InChI=1S/C14H20BNO4/c1-13(2)14(3,4)20-15(19-13)10-7-6-8-11(9-10)16-12(17)18-5/h6-9H,1-5H3,(H,16,17)
InChIKey
WMAMRUWWLIHMFH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
78.19
TPSA
56.79

LogP / Solubility

WLOGP
2.16
MLOGP
1.91
XLogP3
2.16
Consensus LogP
2.08
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
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)
-2.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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