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CAS 27090-63-7 N,N,N’,N’-TETRABUTYL-1,6-HEXANEDIAMINE molecular structure lightbox
CAS RN: 27090-63-7

N,N,N’,N’-TETRABUTYL-1,6-HEXANEDIAMINE

Product Availability

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250910 1g Out of stock 5-7 business days Inquiry
Batchno.20260427 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS27090-63-7
  • Purity/Analytical Methods: >99.0%
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27090-63-7 / N,N,N',N'-tetrabutylhexane-1,6-diamine

Standard CAS: 27090-63-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
27090-63-7
Multi CAS
No
Molecular Formula
C22H48N2
Molecular Weight
340.600000
Exact Mass
340.381750
SMILES
CCCCN(CCCC)CCCCCCN(CCCC)CCCC
InChI
InChI=1S/C22H48N2/c1-5-9-17-23(18-10-6-2)21-15-13-14-16-22-24(19-11-7-3)20-12-8-4/h5-22H2,1-4H3
InChIKey
UPPIBFVZIFKMFO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
1
Rotatable bonds
19
H-bond acceptors
2
Molar refractivity
110.98
TPSA
6.48

LogP / Solubility

WLOGP
6.35
MLOGP
5.61
XLogP3
6.7
Consensus LogP
6.22
Log S (ESOL)
-4.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.94
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.43
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.29

Drug-likeness / Medicinal Chemistry

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

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