[email protected]
CAS 196497-48-0 spisulosine molecular structure lightbox
CAS RN: 196497-48-0

spisulosine

Product Availability

Choose a grade to view its available package options.

2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250805 1mg In stock Inquiry
Batchno.20260411 5mg Out of stock Inquiry
  • Product code: starshine_CAS196497-48-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

196497-48-0 / (2S,3R)-2-aminooctadecan-3-ol

Standard CAS: 196497-48-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
196497-48-0
Multi CAS
No
Molecular Formula
C18H39NO
Molecular Weight
285.500000
Exact Mass
285.303165
SMILES
CCCCCCCCCCCCCCC[C@H]([C@H](C)N)O
InChI
InChI=1S/C18H39NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17(2)19/h17-18,20H,3-16,19H2,1-2H3/t17-,18+/m0/s1
InChIKey
YRYJJIXWWQLGGV-ZWKOTPCHSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
1
Rotatable bonds
15
H-bond acceptors
2
H-bond donors
2
Molar refractivity
89.97
TPSA
46.25

LogP / Solubility

WLOGP
5.18
MLOGP
4.56
XLogP3
6.9
Consensus LogP
5.55
Log S (ESOL)
-3.88
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.61
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.79

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us