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CAS 1379307-68-2 2,4-Dichloro-7-fluoro-5H-pyrrolo[3,2-d]pyrimidine molecular structure lightbox
CAS RN: 1379307-68-2

2,4-Dichloro-7-fluoro-5H-pyrrolo[3,2-d]pyrimidine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260130 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1379307-68-2
  • Purity/Analytical Methods: >99.0%
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1379307-68-2 / 2,4-dichloro-7-fluoro-5H-pyrrolo[3,2-d]pyrimidine

Standard CAS: 1379307-68-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1379307-68-2
Multi CAS
No
Molecular Formula
C6H2Cl2FN3
Molecular Weight
206.000000
Exact Mass
204.960981
SMILES
C1=C(C2=C(N1)C(=NC(=N2)Cl)Cl)F
InChI
InChI=1S/C6H2Cl2FN3/c7-5-4-3(2(9)1-10-4)11-6(8)12-5/h1,10H
InChIKey
KCJPYNHUEVEOGY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.87
TPSA
41.57

LogP / Solubility

WLOGP
2.4
MLOGP
2.12
XLogP3
2.4
Consensus LogP
2.31
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.99
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.27

Drug-likeness / Medicinal Chemistry

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

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