CAS RN: 916673-46-6
(2-(Hydroxymethyl)thiophen-3-yl)boronic acid
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock1 grade group
- Product code: SSC-205026
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
916673-46-6 / [2-(hydroxymethyl)thiophen-3-yl]boronic acid
Basic Information
CAS
916673-46-6
Multi CAS
Yes
Molecular Formula
BC5H7O3S
Molecular Weight
157.990000
Exact Mass
158.020895
InChI
InChI=1S/C5H7BO3S/c7-3-5-4(6(8)9)1-2-10-5/h1-2,7-9H,3H2
InChIKey
VPZFAAUODCBYIA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
3
Molar refractivity
40.07
TPSA
60.69
LogP / Solubility
WLOGP
-1.08
MLOGP
-0.96
XLogP3
-1.08
Consensus LogP
-1.04
Log S (ESOL)
-0.38
Class (ESOL)
Very soluble
Log S (Ali)
-0.08
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.03
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.45
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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