CAS RN: 5966-29-0
N-palMitoyl-D-erythro-sphinganine
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: starshine_CAS5966-29-0
- Purity/Analytical Methods: >99.0%
5966-29-0 / N-(1,3-dihydroxyoctadecan-2-yl)hexadecanamide
Basic Information
CAS
5966-29-0
Multi CAS
Yes
Molecular Formula
C34H69NO3
Molecular Weight
539.900000
Exact Mass
539.527745
InChI
InChI=1S/C34H69NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(37)32(31-36)35-34(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32-33,36-37H,3-31H2,1-2H3,(H,35,38)/t32-,33+/m0/s1
InChIKey
GCGTXOVNNFGTPQ-JHOUSYSJSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Fraction Csp3
0.97
Rotatable bonds
31
H-bond acceptors
3
H-bond donors
3
Molar refractivity
165.65
TPSA
69.56
LogP / Solubility
WLOGP
9.79
MLOGP
8.65
XLogP3
13.4
Consensus LogP
10.61
Log S (ESOL)
-7.31
Class (ESOL)
Insoluble
Log S (Ali)
-11.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.01
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.94
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
Customers Also Viewed
-
THIOMORPHOLINE HYDROCHLORIDE
- CAS RN: 5967-90-8
- Product Code: starshine_CAS5967-90-8
- Purity/Analytical method: >99.0%
-
-
3-ACETYL-BETA-BOSWELLIC ACID
- CAS RN: 5968-70-7
- Product Code: starshine_CAS5968-70-7
- Purity/Analytical method: >99.0%
-
XANTHOSINE DIHYDRATE
- CAS RN: 5968-90-1
- Product Code: starshine_CAS5968-90-1
- Purity/Analytical method: >99.0%
-
-
