CAS RN: 83461-56-7
N-Acetylmuramyl-alanyl-isoglutaminyl-alanyl-sn-glycero-3-phosphoethano lamine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250228 | 1mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS83461-56-7
- Purity/Analytical Methods: >99.0%
83461-56-7 / [3-[2-[2-[[4-[2-[2-(2-acetamido-4,5,6-trihydroxy-1-oxohexan-3-yl)oxypropanoylamino]propanoylamino]-5-amino-5-oxopentanoyl]amino]propanoylamino]ethoxy-hydroxyphosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate
Basic Information
CAS
83461-56-7
Multi CAS
Yes
Molecular Formula
C59H109N6O19P
Molecular Weight
1237.500000
Exact Mass
1236.748512
InChI
InChI=1S/C59H109N6O19P/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-52(71)80-41-47(84-53(72)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)42-82-85(78,79)81-38-37-61-57(75)43(3)62-51(70)36-35-48(56(60)74)65-58(76)44(4)63-59(77)45(5)83-55(54(73)50(69)40-67)49(39-66)64-46(6)68/h39,43-45,47-50,54-55,67,69,73H,7-38,40-42H2,1-6H3,(H2,60,74)(H,61,75)(H,62,70)(H,63,77)(H,64,68)(H,65,76)(H,78,79)/t43-,44-,45+,47+,48+,49-,50+,54+,55+/m0/s1
InChIKey
ZVLWUMPAHCEZAW-KRNLDFAISA-N
Computed Properties
Structural Parameters
Heavy atom count
85
Fraction Csp3
0.85
Rotatable bonds
56
H-bond acceptors
18
H-bond donors
10
Molar refractivity
318.87
TPSA
383.94
LogP / Solubility
WLOGP
5.6
MLOGP
5.06
XLogP3
8.2
Consensus LogP
6.29
Log S (ESOL)
-7.35
Class (ESOL)
Insoluble
Log S (Ali)
-13.75
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-19.08
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-6.29
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
9
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