CAS RN: 913836-00-7
4-BORONOBENZENESULFONIC 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.20260128 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS913836-00-7
- Purity/Analytical Methods: >99.0%
913836-00-7 / 4-boronobenzenesulfonic acid
Basic Information
CAS
913836-00-7
Multi CAS
Yes
Molecular Formula
BC6H7O5S
Molecular Weight
202.000000
Exact Mass
202.010725
InChI
InChI=1S/C6H7BO5S/c8-7(9)5-1-3-6(4-2-5)13(10,11)12/h1-4,8-9H,(H,10,11,12)
InChIKey
LCPDRGMZQSQOCQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
3
Molar refractivity
46.08
TPSA
94.83
LogP / Solubility
WLOGP
-1.39
MLOGP
-1.22
XLogP3
-1.39
Consensus LogP
-1.33
Log S (ESOL)
-0.43
Class (ESOL)
Very soluble
Log S (Ali)
-0.22
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.06
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.94
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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