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CAS 1146214-77-8 Methyl 2-methoxy-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate molecular structure lightbox
CAS RN: 1146214-77-8

Methyl 2-methoxy-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

  • Product code: SSC-014325
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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: 1g
  • 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 1146214-77-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g 95%+ 0 Out of Stock Shenzhen Inquiry

1146214-77-8 / methyl 2-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

Methyl 2-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate | DTXSID10718346 | RefChem:354354

Standard CAS: 1146214-77-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1146214-77-8
Multi CAS
Yes
Molecular Formula
C15H21BO5
Molecular Weight
292.140000
Exact Mass
292.148204
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C(=CC=C2)OC)C(=O)OC
InChI
InChI=1S/C15H21BO5/c1-14(2)15(3,4)21-16(20-14)10-8-7-9-11(18-5)12(10)13(17)19-6/h7-9H,1-6H3
InChIKey
RAGDNDSTZKPURP-UHFFFAOYSA-N
Synonyms
Methyl 2-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate DTXSID10718346 RefChem:354354 DTXCID20669092 3-methoxy-2-(methoxycarbonyl)phenylboronic acid, pinacol ester

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
80.05
TPSA
53.99

LogP / Solubility

WLOGP
1.78
MLOGP
1.58
XLogP3
1.78
Consensus LogP
1.71
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.4
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.24

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
2.5

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