CAS RN: 197313-32-9
trans-6-Chloro-1-hexen-1-ylboronic acid pinacol ester
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.20250730 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-093047
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 | Beijing | Inquiry |
197313-32-9 / 2-[(E)-6-chlorohex-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Basic Information
CAS
197313-32-9
Multi CAS
No
Molecular Formula
C12H22BClO2
Molecular Weight
244.570000
Exact Mass
244.140138
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/CCCCCl
InChI
InChI=1S/C12H22BClO2/c1-11(2)12(3,4)16-13(15-11)9-7-5-6-8-10-14/h7,9H,5-6,8,10H2,1-4H3/b9-7+
InChIKey
FNDLLXXDZTUGLB-VQHVLOKHSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.83
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
69.79
TPSA
18.46
LogP / Solubility
WLOGP
3.58
MLOGP
3.16
XLogP3
3.58
Consensus LogP
3.44
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.82
Class (SILICOS-IT)
Slightly 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)
-1.67
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
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