[email protected]
CAS 869653-90-7 HEGA-9 molecular structure lightbox
CAS RN: 869653-90-7

HEGA-9

Product Availability

Choose a grade to view its available package options.

3 package records1 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250620 1g In stock Inquiry
Batchno.20260215 250mg Out of stock Inquiry
Batchno.20260217 5g Out of stock Inquiry
  • Product code: starshine_CAS869653-90-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

869653-90-7 / N-(2-hydroxyethyl)-N-(2,3,4,5,6-pentahydroxyhexyl)nonanamide

Standard CAS: 869653-90-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
869653-90-7
Multi CAS
Yes
Molecular Formula
C17H35NO7
Molecular Weight
365.500000
Exact Mass
365.241352
InChI
InChI=1S/C17H35NO7/c1-2-3-4-5-6-7-8-15(23)18(9-10-19)11-13(21)16(24)17(25)14(22)12-20/h13-14,16-17,19-22,24-25H,2-12H2,1H3/t13-,14+,16+,17+/m0/s1
InChIKey
REPLXGVUTGZQCG-XOSAIJSUSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
0.94
Rotatable bonds
15
H-bond acceptors
7
H-bond donors
6
Molar refractivity
92.77
TPSA
141.69

LogP / Solubility

WLOGP
-1.01
MLOGP
-0.87
XLogP3
-0.6
Consensus LogP
-0.83
Log S (ESOL)
-0.48
Class (ESOL)
Very soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-3
Class (SILICOS-IT)
Poorly 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)
-5.66

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
4.5

Customers Also Viewed

Get In Touch

Contact Us