![CAS 443642-33-9 4-Chloro-7-(2-C-methyl-beta-D-ribofuranosyl)-7H-Pyrrolo[2,3-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/443642-33-9.gif)
CAS RN: 443642-33-9
4-Chloro-7-(2-C-methyl-beta-D-ribofuranosyl)-7H-Pyrrolo[2,3-d]pyrimidine
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.20251218 | 100mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS443642-33-9
- Purity/Analytical Methods: >99.0%
443642-33-9 / (2R,3R,4R,5R)-2-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
Basic Information
CAS
443642-33-9
Multi CAS
Yes
Molecular Formula
C12H14CLN3O4
Molecular Weight
299.710000
Exact Mass
299.067284
InChI
InChI=1S/C12H14ClN3O4/c1-12(19)8(18)7(4-17)20-11(12)16-3-2-6-9(13)14-5-15-10(6)16/h2-3,5,7-8,11,17-19H,4H2,1H3/t7-,8-,11-,12-/m1/s1
InChIKey
YNVCLSAXHSBSTK-GAJNKVMBSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
3
Molar refractivity
70.16
TPSA
100.63
LogP / Solubility
WLOGP
0.09
MLOGP
0.09
XLogP3
0.2
Consensus LogP
0.13
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.92
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)
-4.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
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