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CAS 88374-37-2 (S)-(-)-N-(5-Nitro-2-pyridyl)prolinol molecular structure lightbox
CAS RN: 88374-37-2

(S)-(-)-N-(5-Nitro-2-pyridyl)prolinol

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251209 200mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: ICTN0540
  • Purity/Analytical Methods: >99.0%(T)
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88374-37-2 / [1-(5-nitro-2-pyridinyl)pyrrolidin-2-yl]methanol

Standard CAS: 88374-37-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
88374-37-2
Multi CAS
Yes
Molecular Formula
C10H13N3O3
Molecular Weight
223.230000
Exact Mass
223.095691
InChI
InChI=1S/C10H13N3O3/c14-7-9-2-1-5-12(9)10-4-3-8(6-11-10)13(15)16/h3-4,6,9,14H,1-2,5,7H2
InChIKey
YBARIBJRNJYVTK-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
5
H-bond donors
1
Molar refractivity
58.35
TPSA
79.5

LogP / Solubility

WLOGP
0.95
MLOGP
0.84
XLogP3
1
Consensus LogP
0.93
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.26
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.41

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
2

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