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CAS 443642-56-6 4-Amino-7-(2-C-methyl-beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid molecular structure lightbox
CAS RN: 443642-56-6

4-Amino-7-(2-C-methyl-beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260227 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS443642-56-6
  • Purity/Analytical Methods: >99.0%
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443642-56-6 / 4-amino-7-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxylic acid

Standard CAS: 443642-56-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
443642-56-6
Multi CAS
No
Molecular Formula
C13H16N4O6
Molecular Weight
324.290000
Exact Mass
324.106984
InChI
InChI=1S/C13H16N4O6/c1-13(22)8(19)6(3-18)23-12(13)17-2-5(11(20)21)7-9(14)15-4-16-10(7)17/h2,4,6,8,12,18-19,22H,3H2,1H3,(H,20,21)(H2,14,15,16)/t6-,8-,12-,13-/m1/s1
InChIKey
KFTHWKFWOTUZDL-CZTVAOSCSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
9
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
9
H-bond donors
5
Molar refractivity
76.53
TPSA
163.95

LogP / Solubility

WLOGP
-1.29
MLOGP
-1.12
XLogP3
-1.6
Consensus LogP
-1.34
Log S (ESOL)
-1.13
Class (ESOL)
Soluble
Log S (Ali)
-1.29
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.06
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
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)
-5.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4.5

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