CAS RN: 1206641-44-2
(r)-(4-((3-hydroxypyrrolidin-1-yl)methyl)phenyl)boronic acid pinacol ester
Product Availability
Choose a grade to view its available package options.
5 package records2 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251001 | 100mg | In stock | Tianjin | Inquiry | |
| Batchno.20260104 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20260320 | 1g | In stock | Shenzhen | Inquiry | |
| Batchno.20260602 | 250mg | Out of stock | Inquiry | ||
| Batchno.20250716 | 5g | Out of stock | Inquiry |
- Product code: starshine_CAS1206641-44-2
- Purity/Analytical Methods: >99.0%
1206641-44-2 / (3R)-1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyrrolidin-3-ol
SCHEMBL3261633 | SB16056 | SB16057
Basic Information
CAS
1206641-44-2
Multi CAS
Yes
Molecular Formula
C17H26BNO3
Molecular Weight
303.200000
Exact Mass
303.200574
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CN3CC[C@H](C3)O
InChI
InChI=1S/C17H26BNO3/c1-16(2)17(3,4)22-18(21-16)14-7-5-13(6-8-14)11-19-10-9-15(20)12-19/h5-8,15,20H,9-12H2,1-4H3/t15-/m1/s1
InChIKey
SBYUJLXMCLUPCB-OAHLLOKOSA-N
Synonyms
SCHEMBL3261633
SB16056
SB16057
1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyrrolidin-3-ol
3-pyrrolidinol, 1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-, (3r)-
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
88.06
TPSA
41.93
LogP / Solubility
WLOGP
1.55
MLOGP
1.38
XLogP3
1.55
Consensus LogP
1.49
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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