CAS RN: 383907-36-6
Phosphatidylinositol (Soy) SodiuM
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS383907-36-6
- Purity/Analytical Methods: >99.0%
383907-36-6 / sodium [(2R)-3-hexadecanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] [(5R)-2,3,4,5,6-pentahydroxycyclohexyl] phosphate
Basic Information
CAS
383907-36-6
Multi CAS
Yes
Molecular Formula
C43H78NAO13P
Molecular Weight
857.000000
Exact Mass
856.507774
InChI
InChI=1S/C43H79O13P.Na/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2;/h11,13,17-18,35,38-43,46-50H,3-10,12,14-16,19-34H2,1-2H3,(H,51,52);/q;+1/p-1/b13-11-,18-17-;/t35-,38?,39-,40?,41?,42?,43?;/m1./s1
InChIKey
DCDQYHYLAGWAPO-QXMRYZQYSA-M
Computed Properties
Structural Parameters
Heavy atom count
58
Fraction Csp3
0.86
Rotatable bonds
36
H-bond acceptors
13
H-bond donors
5
Molar refractivity
218.97
TPSA
212.34
LogP / Solubility
WLOGP
4.43
MLOGP
3.98
XLogP3
4.43
Consensus LogP
4.28
Log S (ESOL)
-5.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-9.79
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.23
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.8
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
7
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