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CAS 1061367-22-3 2-(2-Chloro-6-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane molecular structure lightbox
CAS RN: 1061367-22-3

2-(2-Chloro-6-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260209 1g In stock Shenzhen Inquiry
Batchno.20251119 250mg In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251029 5g Out of stock Inquiry
  • Product code: SSC-007955
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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: ＞97%
  • 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 1061367-22-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1061367-22-3 / 2-(2-chloro-6-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(2-chloro-6-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane | MFCD22494816 | SCHEMBL30526881

Standard CAS: 1061367-22-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1061367-22-3
Multi CAS
Yes
Molecular Formula
C13H18BClO3
Molecular Weight
268.540000
Exact Mass
268.103752
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC=C2Cl)OC
InChI
InChI=1S/C13H18BClO3/c1-12(2)13(3,4)18-14(17-12)11-9(15)7-6-8-10(11)16-5/h6-8H,1-5H3
InChIKey
HEJDFXCWVYENEY-UHFFFAOYSA-N
Synonyms
2-(2-chloro-6-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane MFCD22494816 SCHEMBL30526881 BS-51808 SY297365

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
73.72
TPSA
27.69

LogP / Solubility

WLOGP
2.65
MLOGP
2.34
XLogP3
2.65
Consensus LogP
2.55
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
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)
-2.48

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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