CAS RN: 957062-70-3
trans-4-Hydroxycyclohexyl 4-boronobenzamide
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.20250828 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-211311
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 | Shanghai | Inquiry |
957062-70-3 / [4-[(4-hydroxycyclohexyl)carbamoyl]phenyl]boronic acid
Basic Information
CAS
957062-70-3
Multi CAS
No
Molecular Formula
BC13H18NO4
Molecular Weight
263.100000
Exact Mass
263.132888
InChI
InChI=1S/C13H18BNO4/c16-12-7-5-11(6-8-12)15-13(17)9-1-3-10(4-2-9)14(18)19/h1-4,11-12,16,18-19H,5-8H2,(H,15,17)
InChIKey
YSXTWFABWWVVAX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
4
Molar refractivity
72
TPSA
89.79
LogP / Solubility
WLOGP
-0.6
MLOGP
-0.52
XLogP3
-0.6
Consensus LogP
-0.57
Log S (ESOL)
-1.13
Class (ESOL)
Soluble
Log S (Ali)
-1.28
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.23
Class (SILICOS-IT)
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)
-4.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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