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CAS 905273-87-2 6-chloro-N,N-diisopropylnicotinaMide molecular structure lightbox
CAS RN: 905273-87-2

6-chloro-N,N-diisopropylnicotinaMide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260224 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS905273-87-2
  • Purity/Analytical Methods: >99.0%
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905273-87-2 / 6-chloro-N,N-di(propan-2-yl)pyridine-3-carboxamide

Standard CAS: 905273-87-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
905273-87-2
Multi CAS
No
Molecular Formula
C12H17CLN2O
Molecular Weight
240.730000
Exact Mass
240.102941
InChI
InChI=1S/C12H17ClN2O/c1-8(2)15(9(3)4)12(16)10-5-6-11(13)14-7-10/h5-9H,1-4H3
InChIKey
SSIUKIOVKUQYGZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
65.69
TPSA
33.2

LogP / Solubility

WLOGP
2.99
MLOGP
2.64
XLogP3
2.9
Consensus LogP
2.84
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
Class (SILICOS-IT)
Slightly 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)
-2.06

Drug-likeness / Medicinal Chemistry

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

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