CAS RN: 1612184-34-5
2,5-Dichloro-4-methoxyphenylboronic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260506 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1612184-34-5
- Purity/Analytical Methods: >99.0%
1612184-34-5 / (2,5-dichloro-4-methoxyphenyl)boronic acid
Basic Information
CAS
1612184-34-5
Multi CAS
No
Molecular Formula
C7H7BCl2O3
Molecular Weight
220.840000
Exact Mass
219.986530
SMILES
B(C1=CC(=C(C=C1Cl)OC)Cl)(O)O
InChI
InChI=1S/C7H7BCl2O3/c1-13-7-3-5(9)4(8(11)12)2-6(7)10/h2-3,11-12H,1H3
InChIKey
RHCCXBFEZDDMJN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
52.84
TPSA
49.69
LogP / Solubility
WLOGP
0.68
MLOGP
0.6
XLogP3
0.68
Consensus LogP
0.65
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.9
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)
-3.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): 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
-
-
-
-
Myricadenin A
- CAS RN: 1612239-23-2
- Product Code: starshine_CAS1612239-23-2
- Purity/Analytical method: >99.0%
-
4-chloro-2-(Methoxycarbonyl)phenylboronic acid
- CAS RN: 1612256-37-7
- Product Code: SSC-068928
-
![CAS 1612287-20-3 5-bromo-2-chloro-1H-pyrrolo[2,3-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1612287-20-3.gif)