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: 0.1g
- 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 |
|---|---|---|---|---|
| 0.1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
279262-08-7 / (3,4-diethoxyphenyl)boronic acid
Basic Information
CAS
279262-08-7
Multi CAS
No
Molecular Formula
C10H15BO4
Molecular Weight
210.040000
Exact Mass
210.106339
InChI
InChI=1S/C10H15BO4/c1-3-14-9-6-5-8(11(12)13)7-10(9)15-4-2/h5-7,12-13H,3-4H2,1-2H3
InChIKey
BZKJGFWYSHWIPZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
58.61
TPSA
58.92
LogP / Solubility
WLOGP
0.16
MLOGP
0.15
XLogP3
0.16
Consensus LogP
0.16
Log S (ESOL)
-1.21
Class (ESOL)
Soluble
Log S (Ali)
-1.4
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
Class (SILICOS-IT)
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)
-3.88
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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5-BROMO-2-PROPOXY-BENZONITRILE
- CAS RN: 279262-21-4
- Product Code: starshine_CAS279262-21-4
- Purity/Analytical method: >99.0%
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2-(2-Propoxyethoxy)phenylboronic acid
- CAS RN: 279262-53-2
- Product Code: starshine_CAS279262-53-2
- Purity/Analytical method: >99.0%
