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CAS 88996-23-0 BORANE-N,N-DIISOPROPYLETHYLAMINE COMPLEX molecular structure lightbox
CAS RN: 88996-23-0

BORANE-N,N-DIISOPROPYLETHYLAMINE COMPLEX

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260310 25g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS88996-23-0
  • Purity/Analytical Methods: >99.0%
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88996-23-0 / BORANE-N,N-DIISOPROPYLETHYLAMINE COMPLEX

Standard CAS: 88996-23-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
88996-23-0
Multi CAS
Yes
Molecular Formula
BC8H19N
Molecular Weight
140.060000
Exact Mass
140.161055
InChI
InChI=1S/C8H19N.B/c1-6-9(7(2)3)8(4)5;/h7-8H,6H2,1-5H3;
InChIKey
BYKCUMSOQIPHSR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
48.41
TPSA
3.24

LogP / Solubility

WLOGP
1.74
MLOGP
1.53
XLogP3
1.74
Consensus LogP
1.67
Log S (ESOL)
-1.61
Class (ESOL)
Soluble
Log S (Ali)
-1.97
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.38
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)
-2.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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