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CAS 237435-80-2 2,4-dichloro-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine molecular structure lightbox
CAS RN: 237435-80-2

2,4-dichloro-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260410 100mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS237435-80-2
  • Purity/Analytical Methods: >99.0%
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237435-80-2 / 2,4-dichloro-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine

Standard CAS: 237435-80-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
237435-80-2
Multi CAS
No
Molecular Formula
C12H7Cl2N3
Molecular Weight
264.110000
Exact Mass
263.001703
SMILES
C1=CC=C(C=C1)C2=CC3=C(N2)C(=NC(=N3)Cl)Cl
InChI
InChI=1S/C12H7Cl2N3/c13-11-10-9(16-12(14)17-11)6-8(15-10)7-4-2-1-3-5-7/h1-6,15H
InChIKey
RSYBVSVLBSDACE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
69.34
TPSA
41.57

LogP / Solubility

WLOGP
3.93
MLOGP
3.47
XLogP3
4
Consensus LogP
3.8
Log S (ESOL)
-4.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.76
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.54

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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