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CAS 88972-24-1 1,4-BUTANE-2,2,3,3-D4-DIAMINE 2HCL molecular structure lightbox
CAS RN: 88972-24-1

1,4-BUTANE-2,2,3,3-D4-DIAMINE 2HCL

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250809 1mg / 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS88972-24-1
  • Purity/Analytical Methods: >99.0%
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88972-24-1 / 2,2,3,3-tetradeuteriobutane-1,4-diamine;hydrochloride

Standard CAS: 88972-24-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
88972-24-1
Multi CAS
Yes
Molecular Formula
C4H13CLN2
Molecular Weight
128.640000
Exact Mass
128.101833
InChI
InChI=1S/C4H12N2.2ClH/c5-3-1-2-4-6;;/h1-6H2;2*1H/i1D2,2D2;;
InChIKey
XXWCODXIQWIHQN-RIZDZYNXSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
34.59
TPSA
52.04

LogP / Solubility

WLOGP
0.11
MLOGP
0.08
XLogP3
0.11
Consensus LogP
0.1
Log S (ESOL)
-0.48
Class (ESOL)
Very soluble
Log S (Ali)
-0.66
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.92
Class (SILICOS-IT)
Very 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)
-3.41

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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