CAS RN: 24464-63-9
N-DECYLBORONIC ACID
Product Availability
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4 package records3 with current stock2 grade groups
- Product code: starshine_CAS24464-63-9
- Purity/Analytical Methods: >99.0%
24464-63-9 / decylboronic acid
Basic Information
CAS
24464-63-9
Multi CAS
No
Molecular Formula
C10H23BO2
Molecular Weight
186.100000
Exact Mass
186.179110
SMILES
B(CCCCCCCCCC)(O)O
InChI
InChI=1S/C10H23BO2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h12-13H,2-10H2,1H3
InChIKey
TUTSEMMBKGBUGD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
9
H-bond acceptors
2
H-bond donors
2
Molar refractivity
57.61
TPSA
40.46
LogP / Solubility
WLOGP
2.6
MLOGP
2.29
XLogP3
2.6
Consensus LogP
2.5
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-4.11
Class (SILICOS-IT)
Slightly 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)
-2.01
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
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