CAS RN: 1006873-58-0
5-Ethyl-2-methylpyridine borane
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.20260326 | 1g / 5g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1006873-58-0
- Purity/Analytical Methods: >99.0%
1006873-58-0 / 5-Ethyl-2-methylpyridine borane
Basic Information
CAS
1006873-58-0
Multi CAS
Yes
Molecular Formula
C8H11BN
Molecular Weight
131.990000
Exact Mass
132.098455
SMILES
[B].CCC1=CN=C(C=C1)C
InChI
InChI=1S/C8H11N.B/c1-3-8-5-4-7(2)9-6-8;/h4-6H,3H2,1-2H3;
InChIKey
VPEPQDBAIMZCGV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
44.11
TPSA
12.89
LogP / Solubility
WLOGP
1.57
MLOGP
1.37
XLogP3
1.57
Consensus LogP
1.5
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.94
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)
-2.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Corrosive
Acute Toxic
Irritant
Signal
Danger
GHS Hazard Statements
H302 (99%): Harmful if swallowed [Warning Acute toxicity, oral]
H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal]
H314 (99%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H317 (99%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H318 (99%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P361+P364, P362+P364, P363, P403+P233, P405, and P501
P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P361+P364, P362+P364, P403+P233, P405, and P501
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