CAS RN: 1210470-48-6
(5-(4-chlorophenyl)thiophen-2-yl)boronic 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.20250925 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1210470-48-6
- Purity/Analytical Methods: >99.0%
1210470-48-6 / [5-(4-chlorophenyl)thiophen-2-yl]boronic acid;2-[5-(4-chlorophenyl)thiophen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SCHEMBL2556652 | C12860 | (5-(4-CHLOROPHENYL)THIOPHEN-2-YL)BORONIC ACID (CONTAING ITS PINACOL ESTER)
Basic Information
CAS
1210470-48-6
Multi CAS
Yes
Molecular Formula
C26H26B2Cl2O4S2
Molecular Weight
559.100000
Exact Mass
558.083567
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(S2)C3=CC=C(C=C3)Cl.B(C1=CC=C(S1)C2=CC=C(C=C2)Cl)(O)O
InChI
InChI=1S/C16H18BClO2S.C10H8BClO2S/c1-15(2)16(3,4)20-17(19-15)14-10-9-13(21-14)11-5-7-12(18)8-6-11;12-8-3-1-7(2-4-8)9-5-6-10(15-9)11(13)14/h5-10H,1-4H3;1-6,13-14H
InChIKey
YHEDBMOYDOSINM-UHFFFAOYSA-N
Synonyms
SCHEMBL2556652
C12860
(5-(4-CHLOROPHENYL)THIOPHEN-2-YL)BORONIC ACID (CONTAING ITS PINACOL ESTER)
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
22
Fraction Csp3
0.23
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
155.07
TPSA
58.92
LogP / Solubility
WLOGP
6.12
MLOGP
5.43
XLogP3
6.12
Consensus LogP
5.89
Log S (ESOL)
-7.35
Class (ESOL)
Insoluble
Log S (Ali)
-8.56
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.85
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.79
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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