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CAS 1011291-78-3 7-BroMo-1-chlorophthalazine molecular structure lightbox
CAS RN: 1011291-78-3

7-BroMo-1-chlorophthalazine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260318 50mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1011291-78-3
  • Purity/Analytical Methods: >99.0%
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1011291-78-3 / 7-bromo-1-chlorophthalazine

7-Bromo-1-chlorophthalazine | 7-BROMO-1-CHLORO-PHTHALAZINE | Phthalazine, 7-bromo-1-chloro-

Standard CAS: 1011291-78-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1011291-78-3
Multi CAS
No
Molecular Formula
C8H4BrClN2
Molecular Weight
243.490000
Exact Mass
241.924640
SMILES
C1=CC2=CN=NC(=C2C=C1Br)Cl
InChI
InChI=1S/C8H4BrClN2/c9-6-2-1-5-4-11-12-8(10)7(5)3-6/h1-4H
InChIKey
RPTPXZOSFDMHMI-UHFFFAOYSA-N
Synonyms
7-Bromo-1-chlorophthalazine 7-BROMO-1-CHLORO-PHTHALAZINE Phthalazine, 7-bromo-1-chloro- MFCD13190050 SCHEMBL17075887

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
2
Molar refractivity
52.25
TPSA
25.78

LogP / Solubility

WLOGP
3.05
MLOGP
2.69
XLogP3
2.7
Consensus LogP
2.81
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
Class (SILICOS-IT)
Poorly 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)
-2.04

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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