![CAS 443642-39-5 7-[3,5-Bis-O-[(2,4-dichlorophenyl)methyl]-2-C-methyl-beta-D-ribofuranosyl]-4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/443642-39-5.gif)
CAS RN: 443642-39-5
7-[3,5-Bis-O-[(2,4-dichlorophenyl)methyl]-2-C-methyl-beta-D-ribofuranosyl]-4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine
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.20250826 | 500mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS443642-39-5
- Purity/Analytical Methods: >99.0%
443642-39-5 / (2R,3R,4R,5R)-2-(2-amino-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-3-methyloxolan-3-ol
Basic Information
CAS
443642-39-5
Multi CAS
No
Molecular Formula
C26H23CL5N4O4
Molecular Weight
632.700000
Exact Mass
632.013244
InChI
InChI=1S/C26H23Cl5N4O4/c1-26(36)21(38-11-14-3-5-16(28)9-19(14)30)20(12-37-10-13-2-4-15(27)8-18(13)29)39-24(26)35-7-6-17-22(31)33-25(32)34-23(17)35/h2-9,20-21,24,36H,10-12H2,1H3,(H2,32,33,34)/t20-,21-,24-,26-/m1/s1
InChIKey
BMBRSDPNGUOYMI-LXRCUPKFSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
21
Fraction Csp3
0.31
Rotatable bonds
8
H-bond acceptors
8
H-bond donors
2
Molar refractivity
152.64
TPSA
104.65
LogP / Solubility
WLOGP
6.73
MLOGP
5.98
XLogP3
5.8
Consensus LogP
6.17
Log S (ESOL)
-7.87
Class (ESOL)
Insoluble
Log S (Ali)
-9.61
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.32
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)
-1.8
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7
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