CAS RN: 849758-14-1
2-Methoxy-4-(Methoxycarbonyl)phenylboronic acid
- Product code: SSC-192745
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 | Beijing | Inquiry |
849758-14-1 / (2-methoxy-4-methoxycarbonylphenyl)boronic acid
Basic Information
CAS
849758-14-1
Multi CAS
No
Molecular Formula
BC9H11O5
Molecular Weight
209.990000
Exact Mass
210.069954
InChI
InChI=1S/C9H11BO5/c1-14-8-5-6(9(11)15-2)3-4-7(8)10(12)13/h3-5,12-13H,1-2H3
InChIKey
SHLWOAANDCXUKI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
54.16
TPSA
75.99
LogP / Solubility
WLOGP
-0.84
MLOGP
-0.74
XLogP3
-0.84
Consensus LogP
-0.81
Log S (ESOL)
-0.71
Class (ESOL)
Very soluble
Log S (Ali)
-0.68
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.69
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.6
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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