[email protected]
CAS 49631-88-1 N-acetyl-1,6-diaminohexane molecular structure lightbox
CAS RN: 49631-88-1

N-acetyl-1,6-diaminohexane

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260603 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS49631-88-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

49631-88-1 / N-(6-aminohexyl)acetamide

Standard CAS: 49631-88-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
49631-88-1
Multi CAS
Yes
Molecular Formula
C8H18N2O
Molecular Weight
158.240000
Exact Mass
158.141913
InChI
InChI=1S/C8H18N2O/c1-8(11)10-7-5-3-2-4-6-9/h2-7,9H2,1H3,(H,10,11)
InChIKey
WRJPJZTWQTUPQK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
46.21
TPSA
55.12

LogP / Solubility

WLOGP
0.64
MLOGP
0.56
Consensus LogP
0.4
Log S (ESOL)
-0.83
Class (ESOL)
Very soluble
Log S (Ali)
-1.32
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)
-3.23

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

Customers Also Viewed

Get In Touch

Contact Us