CAS RN: 1003858-50-1
2-(3-methoxyphenyl)-5, 5-dimethyl-1,3,2-dioxaborinane
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.20260315 | 1g / 5g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-000930
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: >97%
- 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 | >97% | 0 Out of Stock | Shenzhen | Inquiry |
1003858-50-1 / 2-(3-methoxyphenyl)-5,5-dimethyl-1,3,2-dioxaborinane
2-(3-Methoxyphenyl)-5,5-dimethyl-1,3,2-dioxaborinane | MFCD32103768 | starbld0028921
Basic Information
CAS
1003858-50-1
Multi CAS
No
Molecular Formula
C12H17BO3
Molecular Weight
220.070000
Exact Mass
220.127075
SMILES
B1(OCC(CO1)(C)C)C2=CC(=CC=C2)OC
InChI
InChI=1S/C12H17BO3/c1-12(2)8-15-13(16-9-12)10-5-4-6-11(7-10)14-3/h4-7H,8-9H2,1-3H3
InChIKey
MKCVEYYIUNSTFL-UHFFFAOYSA-N
Synonyms
2-(3-Methoxyphenyl)-5,5-dimethyl-1,3,2-dioxaborinane
MFCD32103768
starbld0028921
SCHEMBL19417354
BS-48213
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
64.07
TPSA
27.69
LogP / Solubility
WLOGP
1.46
MLOGP
1.29
XLogP3
1.46
Consensus LogP
1.4
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
Class (SILICOS-IT)
Moderately 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)
-3.02
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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