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CAS 25764-78-7 CHEMBRDG-BB 7257964 molecular structure lightbox
CAS RN: 25764-78-7

CHEMBRDG-BB 7257964

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250606 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS25764-78-7
  • Purity/Analytical Methods: >99.0%
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25764-78-7 / 2-chloro-N-cyclopropylpyridine-3-carboxamide

Standard CAS: 25764-78-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25764-78-7
Multi CAS
No
Molecular Formula
C9H9ClN2O
Molecular Weight
196.630000
Exact Mass
196.040341
SMILES
C1CC1NC(=O)C2=C(N=CC=C2)Cl
InChI
InChI=1S/C9H9ClN2O/c10-8-7(2-1-5-11-8)9(13)12-6-3-4-6/h1-2,5-6H,3-4H2,(H,12,13)
InChIKey
LITZGZJSHGMLDQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.74
TPSA
41.99

LogP / Solubility

WLOGP
1.63
MLOGP
1.43
XLogP3
1.6
Consensus LogP
1.55
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
Class (SILICOS-IT)
Moderately 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)
-2.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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