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CAS 26549-21-3 (S,S)-(+)-2,3-Dimethoxy-1,4-bis(dimethylamino)butane molecular structure lightbox
CAS RN: 26549-21-3

(S,S)-(+)-2,3-Dimethoxy-1,4-bis(dimethylamino)butane

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4 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250114 1g Out of stock Inquiry
Batchno.20260419 250mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260203 1g Out of stock 8-10 business days Inquiry
Batchno.20250406 200mg In stock Hebei Inquiry
  • Product code: ICTD2396
  • Purity/Analytical Methods: >97.0%(T)
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26549-21-3 / 2,3-dimethoxy-N,N,N',N'-tetramethylbutane-1,4-diamine

Standard CAS: 26549-21-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26549-21-3
Multi CAS
No
Molecular Formula
C10H24N2O2
Molecular Weight
204.310000
Exact Mass
204.183778
SMILES
CN(C)CC(C(CN(C)C)OC)OC
InChI
InChI=1S/C10H24N2O2/c1-11(2)7-9(13-5)10(14-6)8-12(3)4/h9-10H,7-8H2,1-6H3
InChIKey
VYQCQNCBTMHEFI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
7
H-bond acceptors
4
Molar refractivity
58.7
TPSA
24.94

LogP / Solubility

WLOGP
0.14
MLOGP
0.12
XLogP3
0.1
Consensus LogP
0.12
Log S (ESOL)
-0.73
Class (ESOL)
Very soluble
Log S (Ali)
-1.34
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.94
Class (SILICOS-IT)
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)
-3.87

Drug-likeness / Medicinal Chemistry

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

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