[email protected]
CAS 1050510-36-5 2-(CYCLOPROPYLMETHOXY)BENZENEBORONIC ACID molecular structure lightbox
CAS RN: 1050510-36-5

2-(CYCLOPROPYLMETHOXY)BENZENEBORONIC ACID

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251002 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1050510-36-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1050510-36-5 / [2-(cyclopropylmethoxy)phenyl]boronic acid

2-(Cyclopropylmethoxy)benzeneboronic acid | RefChem:460510 | 804-895-6

Standard CAS: 1050510-36-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1050510-36-5
Multi CAS
No
Molecular Formula
C10H13BO3
Molecular Weight
192.020000
Exact Mass
192.095774
SMILES
B(C1=CC=CC=C1OCC2CC2)(O)O
InChI
InChI=1S/C10H13BO3/c12-11(13)9-3-1-2-4-10(9)14-7-8-5-6-8/h1-4,8,12-13H,5-7H2
InChIKey
FWFQJSWJLZPMAL-UHFFFAOYSA-N
Synonyms
2-(Cyclopropylmethoxy)benzeneboronic acid RefChem:460510 804-895-6 2-(Cyclopropylmethoxy)phenylboronic acid (2-(Cyclopropylmethoxy)phenyl)boronic acid

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
54.49
TPSA
49.69

LogP / Solubility

WLOGP
0.16
MLOGP
0.14
XLogP3
0.16
Consensus LogP
0.15
Log S (ESOL)
-1.18
Class (ESOL)
Soluble
Log S (Ali)
-1.25
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.52
Class (SILICOS-IT)
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)
-3.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning 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+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us