CAS RN: 1167418-12-3
1-BOC-Indazole-5-boronic 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.20260303 | 100mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1167418-12-3
- Purity/Analytical Methods: >99.0%
1167418-12-3 / [1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-5-yl]boronic acid
1-BOC-Indazole-5-boronic acid | (1-(tert-Butoxycarbonyl)-1H-indazol-5-yl)boronic acid | {1-[(tert-butoxy)carbonyl]-1H-indazol-5-yl}boronic acid
Basic Information
CAS
1167418-12-3
Multi CAS
No
Molecular Formula
C12H15BN2O4
Molecular Weight
262.070000
Exact Mass
262.112487
SMILES
B(C1=CC2=C(C=C1)N(N=C2)C(=O)OC(C)(C)C)(O)O
InChI
InChI=1S/C12H15BN2O4/c1-12(2,3)19-11(16)15-10-5-4-9(13(17)18)6-8(10)7-14-15/h4-7,17-18H,1-3H3
InChIKey
UPCYSNYVECFOJZ-UHFFFAOYSA-N
Synonyms
1-BOC-Indazole-5-boronic acid
(1-(tert-Butoxycarbonyl)-1H-indazol-5-yl)boronic acid
{1-[(tert-butoxy)carbonyl]-1H-indazol-5-yl}boronic acid
MFCD18837754
1-Boc-1H-indalzole-5-boronic acid
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
2
Molar refractivity
71.19
TPSA
84.58
LogP / Solubility
WLOGP
0.5
MLOGP
0.45
XLogP3
0.5
Consensus LogP
0.48
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.9
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
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)
-3.96
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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