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CAS 201551-23-7 (1R,2R)-(–)-1,2-Bis[(2-pyridinylcarbonyl)amino]cyclohexane molecular structure lightbox
CAS RN: 201551-23-7

(1R,2R)-(–)-1,2-Bis[(2-pyridinylcarbonyl)amino]cyclohexane

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250918 1g In stock Shanghai Inquiry
Batchno.20250904 250mg In stock Shanghai Inquiry
Batchno.20260228 250mg / 1g / 5g / 25g Out of stock 5-7 business days Inquiry
Batchno.20260203 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS201551-23-7
  • Purity/Analytical Methods: >99.0%
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201551-23-7 / N-[(1R,2R)-2-(pyridine-2-carbonylamino)cyclohexyl]pyridine-2-carboxamide

Standard CAS: 201551-23-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
201551-23-7
Multi CAS
No
Molecular Formula
C18H20N4O2
Molecular Weight
324.400000
Exact Mass
324.158626
SMILES
C1CC[C@H]([C@@H](C1)NC(=O)C2=CC=CC=N2)NC(=O)C3=CC=CC=N3
InChI
InChI=1S/C18H20N4O2/c23-17(15-9-3-5-11-19-15)21-13-7-1-2-8-14(13)22-18(24)16-10-4-6-12-20-16/h3-6,9-14H,1-2,7-8H2,(H,21,23)(H,22,24)/t13-,14-/m1/s1
InChIKey
BVYFDUZVVBXFBQ-ZIAGYGMSSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
89.45
TPSA
83.98

LogP / Solubility

WLOGP
1.95
MLOGP
1.73
XLogP3
2
Consensus LogP
1.89
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.87
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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