CAS RN: 352526-01-3
3-Mercaptophenylboronic Acid (contains varying amounts of Anhydride)
- Product code: SSC-142183
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
352526-01-3 / (3-sulfanylphenyl)boronic acid
Basic Information
CAS
352526-01-3
Multi CAS
No
Molecular Formula
BC6H7O2S
Molecular Weight
154.000000
Exact Mass
154.025981
InChI
InChI=1S/C6H7BO2S/c8-7(9)5-2-1-3-6(10)4-5/h1-4,8-10H
InChIKey
OBCKMTLUSKYKIW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
43.52
TPSA
40.46
LogP / Solubility
WLOGP
-0.34
MLOGP
-0.31
XLogP3
-0.34
Consensus LogP
-0.33
Log S (ESOL)
-0.96
Class (ESOL)
Very soluble
Log S (Ali)
-0.57
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.49
Class (SILICOS-IT)
Very 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)
-3.9
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
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