[email protected]
CAS 1073353-44-2 2-(3-(Chloromethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane molecular structure lightbox
CAS RN: 1073353-44-2

2-(3-(Chloromethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250924 1g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20251210 1g / 5g / 25g Out of stock 8-10 business days Inquiry
Batchno.20251203 250mg In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20251013 25g In stock Shenzhen Inquiry
Batchno.20250717 5g In stock Shenzhen Inquiry
  • Product code: SSC-008887
GET A QUOTE
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
Request Bulk Quote

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 1073353-44-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1073353-44-2 / 2-[3-(chloromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(3-(Chloromethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane | 2-[3-(chloromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane | DTXSID40674603

Standard CAS: 1073353-44-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1073353-44-2
Multi CAS
No
Molecular Formula
C13H18BClO2
Molecular Weight
252.550000
Exact Mass
252.108838
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)CCl
InChI
InChI=1S/C13H18BClO2/c1-12(2)13(3,4)17-14(16-12)11-7-5-6-10(8-11)9-15/h5-8H,9H2,1-4H3
InChIKey
KWUGBVHPELQIAF-UHFFFAOYSA-N
Synonyms
2-(3-(Chloromethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 2-[3-(chloromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane DTXSID40674603 RefChem:251352 DTXCID40625352

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
71.72
TPSA
18.46

LogP / Solubility

WLOGP
2.72
MLOGP
2.4
XLogP3
2.72
Consensus LogP
2.61
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
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)
-2.33

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)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us