[email protected]
CAS 161344-85-0 2-BUTYL-[1,3,2]DIOXABOROLANE-4,5-DICARBOXYLIC ACID BIS-DIMETHYLAMIDE molecular structure lightbox
CAS RN: 161344-85-0

2-BUTYL-[1,3,2]DIOXABOROLANE-4,5-DICARBOXYLIC ACID BIS-DIMETHYLAMIDE

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250112 10g In stock Shanghai Inquiry
Batchno.20251107 1g In stock Shanghai Inquiry
Batchno.20250906 250mg In stock Shanghai Inquiry
Batchno.20260210 25g In stock Shanghai Inquiry
Batchno.20260114 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251108 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS161344-85-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

161344-85-0 / 2-butyl-4-N,4-N,5-N,5-N-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide

Standard CAS: 161344-85-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
161344-85-0
Multi CAS
No
Molecular Formula
C12H23BN2O4
Molecular Weight
270.140000
Exact Mass
270.175087
SMILES
B1(OC(C(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
InChIKey
AFQWQRBBIZKYTE-UHFFFAOYSA-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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us