[email protected]
CAS 31417-10-4 N-(2′-(R)-hydroxybehenoyl)-D-erythro-sphingosine molecular structure lightbox
CAS RN: 31417-10-4

N-(2′-(R)-hydroxybehenoyl)-D-erythro-sphingosine

Product Availability

Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251119 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS31417-10-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

31417-10-4 / N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]-2-hydroxydocosanamide

Standard CAS: 31417-10-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
31417-10-4
Multi CAS
Yes
Molecular Formula
C40H79NO4
Molecular Weight
638.100000
Exact Mass
637.600910
InChI
InChI=1S/C40H79NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-35-39(44)40(45)41-37(36-42)38(43)34-32-30-28-26-24-22-16-14-12-10-8-6-4-2/h32,34,37-39,42-44H,3-31,33,35-36H2,1-2H3,(H,41,45)/b34-32+/t37-,38+,39+/m0/s1
InChIKey
FCCZDEAAQZWMGI-ZAKDXXNHSA-N

Computed Properties

Structural Parameters

Heavy atom count
45
Fraction Csp3
0.93
Rotatable bonds
36
H-bond acceptors
4
H-bond donors
4
Molar refractivity
194.65
TPSA
89.79

LogP / Solubility

WLOGP
10.87
MLOGP
9.62
XLogP3
15.4
Consensus LogP
11.96
Log S (ESOL)
-8.27
Class (ESOL)
Insoluble
Log S (Ali)
-12.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.15
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.11

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

Customers Also Viewed

Get In Touch

Contact Us