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CAS 1802670-05-8 Cyclopropyl(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanol molecular structure lightbox
CAS RN: 1802670-05-8

Cyclopropyl(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260526 100mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-080689
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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
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 1802670-05-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 1 In Stock Beijing Inquiry
0.1g ≥95% 1 In Stock Shenzhen Inquiry
1g -- 1 In Stock Shenzhen Inquiry
1g ≥95% 1 In Stock Hong Kong Inquiry
0.25g -- 0 Out of Stock Beijing Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

1802670-05-8 / cyclopropyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol

Cyclopropyl(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanol | (4-(CYCLOPROPYL(HYDROXY)METHYL)PHENYL)BORONIC ACID PINACOL ESTER | MFCD29058860

Standard CAS: 1802670-05-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1802670-05-8
Multi CAS
No
Molecular Formula
BC16H23O3
Molecular Weight
274.200000
Exact Mass
274.174025
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(C3CC3)O
InChI
InChI=1S/C16H23BO3/c1-15(2)16(3,4)20-17(19-15)13-9-7-12(8-10-13)14(18)11-5-6-11/h7-11,14,18H,5-6H2,1-4H3
InChIKey
BNFQARSIGRBKKR-UHFFFAOYSA-N
Synonyms
Cyclopropyl(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanol (4-(CYCLOPROPYL(HYDROXY)METHYL)PHENYL)BORONIC ACID PINACOL ESTER MFCD29058860 cyclopropyl[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol SCHEMBL16979106

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
79.84
TPSA
38.69

LogP / Solubility

WLOGP
2.43
MLOGP
2.15
XLogP3
2.43
Consensus LogP
2.34
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
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)
-2.67

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

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