CAS RN: 7532-39-0
Phenylacetyl-CoA
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.20251022 | 1mg | Out of stock | 20 business days | Inquiry |
- Product code: starshine_CAS7532-39-0
- Purity/Analytical Methods: >99.0%
7532-39-0 / S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 2-phenylethanethioate
Basic Information
CAS
7532-39-0
Multi CAS
Yes
Molecular Formula
C29H42N7O17P3S
Molecular Weight
885.700000
Exact Mass
885.157075
InChI
InChI=1S/C29H42N7O17P3S/c1-29(2,24(40)27(41)32-9-8-19(37)31-10-11-57-20(38)12-17-6-4-3-5-7-17)14-50-56(47,48)53-55(45,46)49-13-18-23(52-54(42,43)44)22(39)28(51-18)36-16-35-21-25(30)33-15-34-26(21)36/h3-7,15-16,18,22-24,28,39-40H,8-14H2,1-2H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/t18-,22-,23-,24+,28-/m1/s1
InChIKey
ZIGIFDRJFZYEEQ-CECATXLMSA-N
Computed Properties
Structural Parameters
Heavy atom count
57
Aromatic heavy atom count
15
Fraction Csp3
0.52
Rotatable bonds
21
H-bond acceptors
19
H-bond donors
9
Molar refractivity
197.24
TPSA
363.63
LogP / Solubility
WLOGP
-0.09
XLogP3
-4
Consensus LogP
-1.36
Log S (ESOL)
-4.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.76
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.86
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
No
Log Kp (skin permeation)
-8.19
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
8
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