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CAS 302800-26-6 1,2-Pentanediamine,N1,N1,4-trimethyl-,(2S)-(9CI) molecular structure lightbox
CAS RN: 302800-26-6

1,2-Pentanediamine,N1,N1,4-trimethyl-,(2S)-(9CI)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250329 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS302800-26-6
  • Purity/Analytical Methods: >99.0%
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302800-26-6 / 1-N,1-N,4-trimethylpentane-1,2-diamine

Standard CAS: 302800-26-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
302800-26-6
Multi CAS
Yes
Molecular Formula
C8H20N2
Molecular Weight
144.260000
Exact Mass
144.162649
InChI
InChI=1S/C8H20N2/c1-7(2)5-8(9)6-10(3)4/h7-8H,5-6,9H2,1-4H3/t8-/m0/s1
InChIKey
SYGGWSCXCCJJFT-QMMMGPOBSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.98
TPSA
29.26

LogP / Solubility

WLOGP
0.92
MLOGP
0.8
XLogP3
1.1
Consensus LogP
0.94
Log S (ESOL)
-1.05
Class (ESOL)
Soluble
Log S (Ali)
-1.41
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.84
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)
-2.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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