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CAS 1206641-40-8 (S)-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)pyrrolidin-3-ol molecular structure lightbox
CAS RN: 1206641-40-8

(S)-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)pyrrolidin-3-ol

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260602 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
Batchno.20260208 10mg In stock Shanghai Inquiry
Batchno.20251227 25mg In stock Shanghai Inquiry
Batchno.20260102 50mg In stock Shanghai Inquiry
  • Product code: SSC-021723
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1206641-40-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1206641-40-8 / (3S)-1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyrrolidin-3-ol

MFCD28501979 | (S)-1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)pyrrolidin-3-ol | (S)-(4-((3-Hydroxypyrrolidin-1-yl)methyl)phenyl)boronic acid pinacol ester

Standard CAS: 1206641-40-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1206641-40-8
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-/m0/s1
InChIKey
SBYUJLXMCLUPCB-HNNXBMFYSA-N
Synonyms
MFCD28501979 (S)-1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)pyrrolidin-3-ol (S)-(4-((3-Hydroxypyrrolidin-1-yl)methyl)phenyl)boronic acid pinacol ester (3S)-1-{[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]METHYL}PYRROLIDIN-3-OL (3S)-1-{[4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}pyrrolidin-3-ol

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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