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CAS 7613-16-3 1,8-DIAMINOOCTANE DIHCL molecular structure lightbox
CAS RN: 7613-16-3

1,8-DIAMINOOCTANE DIHCL

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251104 100mg / 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
  • Product code: starshine_CAS7613-16-3
  • Purity/Analytical Methods: >99.0%
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7613-16-3 / 8-azaniumyloctylazanium dichloride

Standard CAS: 7613-16-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7613-16-3
Multi CAS
Yes
Molecular Formula
C8H22CL2N2
Molecular Weight
217.180000
Exact Mass
216.116004
InChI
InChI=1S/C8H20N2.2ClH/c9-7-5-3-1-2-4-6-8-10;;/h1-10H2;2*1H
InChIKey
ZFLWZOGXFQNIMT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
7
H-bond acceptors
2
H-bond donors
2
Molar refractivity
43.21
TPSA
55.28

LogP / Solubility

WLOGP
-6.18
MLOGP
-5.44
XLogP3
-6.18
Consensus LogP
-5.93
Log S (ESOL)
3.17
Class (ESOL)
Highly soluble
Log S (Ali)
3.12
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
3.22
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-8.43

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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