![CAS 443642-40-8 4-Chloro-7-(2-C-methyl-beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/443642-40-8.gif)
CAS RN: 443642-40-8
4-Chloro-7-(2-C-methyl-beta-D-ribofuranosyl)-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.20251031 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS443642-40-8
- Purity/Analytical Methods: >99.0%
443642-40-8 / (2R,3R,4R,5R)-2-(2-amino-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
Basic Information
CAS
443642-40-8
Multi CAS
Yes
Molecular Formula
C12H15CLN4O4
Molecular Weight
314.720000
Exact Mass
314.078183
InChI
InChI=1S/C12H15ClN4O4/c1-12(20)7(19)6(4-18)21-10(12)17-3-2-5-8(13)15-11(14)16-9(5)17/h2-3,6-7,10,18-20H,4H2,1H3,(H2,14,15,16)/t6-,7-,10-,12-/m1/s1
InChIKey
OAWWCCPHVXICLX-NBYAQTDISA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
8
H-bond donors
4
Molar refractivity
74.58
TPSA
126.65
LogP / Solubility
WLOGP
-0.33
MLOGP
-0.28
XLogP3
-0.2
Consensus LogP
-0.27
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-1.9
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.67
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4.5
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