CAS RN: 66048-53-1
guanosine 2′,3′,5′-tribenzoate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250501 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS66048-53-1
- Purity/Analytical Methods: >99.0%
66048-53-1 / [5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dibenzoyloxyoxolan-2-yl]methyl benzoate
Basic Information
CAS
66048-53-1
Multi CAS
Yes
Molecular Formula
C31H25N5O8
Molecular Weight
595.600000
Exact Mass
595.170313
InChI
InChI=1S/C31H25N5O8/c32-31-34-25-22(26(37)35-31)33-17-36(25)27-24(44-30(40)20-14-8-3-9-15-20)23(43-29(39)19-12-6-2-7-13-19)21(42-27)16-41-28(38)18-10-4-1-5-11-18/h1-15,17,21,23-24,27H,16H2,(H3,32,34,35,37)/t21-,23-,24-,27-/m1/s1
InChIKey
WZRBAVDJTYIQBI-VBHAUSMQSA-N
Computed Properties
Structural Parameters
Heavy atom count
44
Aromatic heavy atom count
27
Fraction Csp3
0.16
Rotatable bonds
8
H-bond acceptors
12
H-bond donors
2
Molar refractivity
154.49
TPSA
177.72
LogP / Solubility
WLOGP
2.91
MLOGP
2.61
XLogP3
4.3
Consensus LogP
3.27
Log S (ESOL)
-5.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.54
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.9
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.29
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
7.5
Customers Also Viewed
-
-
Benzoylgomisin H
- CAS RN: 66056-23-3
- Product Code: starshine_CAS66056-23-3
- Purity/Analytical method: >99.0%
-
-
Poly(oxy-1,2-ethanediyl), .alpha.-phosphono-.omega.-(methylphenoxy)-, dipotassium salt
- CAS RN: 66057-30-5
- Product Code: SSC-175704
-
4-chloro-N-cyclopentylbenzylamine
- CAS RN: 66063-15-8
- Product Code: starshine_CAS66063-15-8
- Purity/Analytical method: >99.0%
-
Licoisoflavanone
- CAS RN: 66067-26-3
- Product Code: starshine_CAS66067-26-3
- Purity/Analytical method: >99.0%
![CAS 66056-40-4 2-[2,4-Bis(benzyloxy)phenyl]acetic Acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/66056-40-4.gif)
