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CAS 1935940-95-6 5-Chloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine molecular structure lightbox
CAS RN: 1935940-95-6

5-Chloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250723 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250210 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20250317 1g In stock Shenzhen Inquiry
Batchno.20250227 250mg In stock Shenzhen Inquiry
  • Product code: starshine_CAS1935940-95-6
  • Purity/Analytical Methods: >99.0%
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1935940-95-6 / 5-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine

Standard CAS: 1935940-95-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1935940-95-6
Multi CAS
No
Molecular Formula
C6H5ClN4
Molecular Weight
168.580000
Exact Mass
168.020274
SMILES
C1=C(C2=CN=C(N=C2N1)N)Cl
InChI
InChI=1S/C6H5ClN4/c7-4-2-9-5-3(4)1-10-6(8)11-5/h1-2H,(H3,8,9,10,11)
InChIKey
FCEQJAUZDBDGFD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
2
Molar refractivity
43.31
TPSA
67.59

LogP / Solubility

WLOGP
1.19
MLOGP
1.05
XLogP3
0.9
Consensus LogP
1.05
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.75
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.9

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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