CAS RN: 85167-10-8
(1S,2S,3R,5S)-(+)-2,3-PINANEDIOL BUTYLBORONATE ESTER
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.20250512 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS85167-10-8
- Purity/Analytical Methods: >99.0%
85167-10-8 / (1S,2S,6R,8S)-4-butyl-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane
Basic Information
CAS
85167-10-8
Multi CAS
Yes
Molecular Formula
BC14H25O2
Molecular Weight
236.160000
Exact Mass
236.194760
InChI
InChI=1S/C14H25BO2/c1-5-6-7-15-16-12-9-10-8-11(13(10,2)3)14(12,4)17-15/h10-12H,5-9H2,1-4H3/t10-,11-,12+,14-/m0/s1
InChIKey
IMUJPBOUZJFWJB-FMSGJZPZSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
69.83
TPSA
18.46
LogP / Solubility
WLOGP
3.51
MLOGP
3.1
XLogP3
3.51
Consensus LogP
3.37
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.47
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)
-1.67
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
6
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