CAS RN: 871333-00-5
2-METHYL-5-(PIPERIDIN-1-YLSULFONYL)PHENYLBORONIC ACID
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.20250118 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS871333-00-5
- Purity/Analytical Methods: >99.0%
871333-00-5 / (2-methyl-5-piperidin-1-ylsulfonylphenyl)boronic acid
Basic Information
CAS
871333-00-5
Multi CAS
No
Molecular Formula
BC12H18NO4S
Molecular Weight
283.160000
Exact Mass
283.104959
InChI
InChI=1S/C12H18BNO4S/c1-10-5-6-11(9-12(10)13(15)16)19(17,18)14-7-3-2-4-8-14/h5-6,9,15-16H,2-4,7-8H2,1H3
InChIKey
QPJRVQFTOJXHOV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
73.61
TPSA
77.84
LogP / Solubility
WLOGP
-0.15
MLOGP
-0.12
XLogP3
-0.15
Consensus LogP
-0.14
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.77
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.74
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)
-4.55
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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