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CAS 97337-37-6 4-Chloro-7-(2-deoxy–D-ribofuranosyl)-7H-pyrrolo[2,3-d]-pyrimidine molecular structure lightbox
CAS RN: 97337-37-6

4-Chloro-7-(2-deoxy–D-ribofuranosyl)-7H-pyrrolo[2,3-d]-pyrimidine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250221 500mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS97337-37-6
  • Purity/Analytical Methods: >99.0%
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97337-37-6 / 5-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol

Standard CAS: 97337-37-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
97337-37-6
Multi CAS
Yes
Molecular Formula
C11H12CLN3O3
Molecular Weight
269.680000
Exact Mass
269.056719
InChI
InChI=1S/C11H12ClN3O3/c12-10-6-1-2-15(11(6)14-5-13-10)9-3-7(17)8(4-16)18-9/h1-2,5,7-9,16-17H,3-4H2
InChIKey
FHODFBMHXPTGHP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
64.16
TPSA
80.4

LogP / Solubility

WLOGP
0.73
MLOGP
0.65
XLogP3
0.9
Consensus LogP
0.76
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.26
Class (SILICOS-IT)
Moderately 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)
-3.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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