[email protected]
CAS 1400755-07-8 2-Chloro-3-(hydroxyMethyl)phenylboronic Acid Pinacol Ester molecular structure lightbox
CAS RN: 1400755-07-8

2-Chloro-3-(hydroxyMethyl)phenylboronic Acid Pinacol Ester

  • Product code: SSC-050548
GET A QUOTE
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: 0.25g, 0.1g, 1g, 5g
  • Available purity: ≥97%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1400755-07-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g -- 3 In Stock Hong Kong Inquiry
0.25g ≥97% 3 In Stock Shenzhen Inquiry
0.1g -- 0 Out of Stock Beijing Inquiry
0.1g ≥97% 0 Out of Stock Beijing Inquiry
1g -- 0 Out of Stock Beijing Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry
5g -- 0 Out of Stock Beijing Inquiry
5g ≥97% 0 Out of Stock Beijing Inquiry

1400755-07-8 / [2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol

Standard CAS: 1400755-07-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1400755-07-8
Multi CAS
No
Molecular Formula
C13H18BClO3
Molecular Weight
268.540000
Exact Mass
268.103752
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C(=CC=C2)CO)Cl
InChI
InChI=1S/C13H18BClO3/c1-12(2)13(3,4)18-14(17-12)10-7-5-6-9(8-16)11(10)15/h5-7,16H,8H2,1-4H3
InChIKey
HBLMMENVLOTBES-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
73.09
TPSA
38.69

LogP / Solubility

WLOGP
2.13
MLOGP
1.88
XLogP3
2.13
Consensus LogP
2.05
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
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)
-2.84

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

Customers Also Viewed

Get In Touch

Contact Us