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CAS 161344-84-9 2-BUTYL-1,3,2-DIOXABOROLANE-4S,5S-DICARBOXYLIC ACID BIS(DIMETHYLAMIDE) molecular structure lightbox
CAS RN: 161344-84-9

2-BUTYL-1,3,2-DIOXABOROLANE-4S,5S-DICARBOXYLIC ACID BIS(DIMETHYLAMIDE)

Product Availability

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6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250512 100g Out of stock Inquiry
Batchno.20250809 1g In stock Shanghai, Chengdu Inquiry
Batchno.20251015 1g / 5g / 25g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batchno.20250210 250mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20251102 25g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260514 5g In stock Shanghai Inquiry
  • Product code: SSC-069035
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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 161344-84-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

161344-84-9 / (4S,5S)-2-butyl-4-N,4-N,5-N,5-N-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide

Standard CAS: 161344-84-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
161344-84-9
Multi CAS
No
Molecular Formula
C12H23BN2O4
Molecular Weight
270.140000
Exact Mass
270.175087
SMILES
B1(O[C@@H]([C@H](O1)C(=O)N(C)C)C(=O)N(C)C)CCCC
InChI
InChI=1S/C12H23BN2O4/c1-6-7-8-13-18-9(11(16)14(2)3)10(19-13)12(17)15(4)5/h9-10H,6-8H2,1-5H3/t9-,10-/m0/s1
InChIKey
AFQWQRBBIZKYTE-UWVGGRQHSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.83
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
72.6
TPSA
59.08

LogP / Solubility

WLOGP
0.24
MLOGP
0.22
XLogP3
0.24
Consensus LogP
0.23
Log S (ESOL)
-1.33
Class (ESOL)
Soluble
Log S (Ali)
-1.94
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.21
Class (SILICOS-IT)
Moderately 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)
-4.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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