![CAS 641571-44-0 “2-AMino-6-chloro-9-[(2,3,5-tri-O-benzoyl-2-C-Methyl-β-D-ribofuranosyl)]-9H-purine” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/641571-44-0.gif)
CAS RN: 641571-44-0
“2-AMino-6-chloro-9-[(2,3,5-tri-O-benzoyl-2-C-Methyl-β-D-ribofuranosyl)]-9H-purine”
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.20260305 | 100mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS641571-44-0
- Purity/Analytical Methods: >99.0%
641571-44-0 / [(2R,3R,4R,5R)-5-(2-amino-6-chloropurin-9-yl)-3,4-dibenzoyloxy-4-methyloxolan-2-yl]methyl benzoate
Basic Information
CAS
641571-44-0
Multi CAS
Yes
Molecular Formula
C32H26CLN5O7
Molecular Weight
628.000000
Exact Mass
627.152076
InChI
InChI=1S/C32H26ClN5O7/c1-32(45-29(41)21-15-9-4-10-16-21)24(44-28(40)20-13-7-3-8-14-20)22(17-42-27(39)19-11-5-2-6-12-19)43-30(32)38-18-35-23-25(33)36-31(34)37-26(23)38/h2-16,18,22,24,30H,17H2,1H3,(H2,34,36,37)/t22-,24-,30-,32-/m1/s1
InChIKey
HHGHJWFDGDHDSS-ZLZVUVTQSA-N
Computed Properties
Structural Parameters
Heavy atom count
45
Aromatic heavy atom count
27
Fraction Csp3
0.19
Rotatable bonds
8
H-bond acceptors
12
H-bond donors
1
Molar refractivity
161.29
TPSA
157.75
LogP / Solubility
WLOGP
4.66
MLOGP
4.15
XLogP3
5.4
Consensus LogP
4.74
Log S (ESOL)
-6.58
Class (ESOL)
Insoluble
Log S (Ali)
-8.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.57
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)
-3.24
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
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