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CAS 588720-14-3 7-chloroH-pyrrolo[1,2-f]pyrimidine-3-carboxylic acid molecular structure lightbox
CAS RN: 588720-14-3

7-chloroH-pyrrolo[1,2-f]pyrimidine-3-carboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260103 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS588720-14-3
  • Purity/Analytical Methods: >99.0%
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588720-14-3 / 7-chloropyrrolo[1,2-c]pyrimidine-3-carboxylic acid

Standard CAS: 588720-14-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
588720-14-3
Multi CAS
Yes
Molecular Formula
C8H5CLN2O2
Molecular Weight
196.590000
Exact Mass
196.003955
InChI
InChI=1S/C8H5ClN2O2.ClH/c9-7-2-1-5-3-6(8(12)13)10-4-11(5)7;/h1-4H,(H,12,13);1H
InChIKey
HHQISRTWMVKRGV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.16
TPSA
54.6

LogP / Solubility

WLOGP
1.69
MLOGP
1.48
XLogP3
2.7
Consensus LogP
1.96
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.72

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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