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CAS 100907-37-7 5-Butyl-2-phenylpyridine molecular structure lightbox
CAS RN: 100907-37-7

5-Butyl-2-phenylpyridine

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250729 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS100907-37-7
  • Purity/Analytical Methods: >99.0%
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100907-37-7 / 5-butyl-2-phenylpyridine

5-butyl-2-phenylpyridine | Pyridine, 5-butyl-2-phenyl- | 5-butyl-2-phenyl-pyridine

Standard CAS: 100907-37-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
100907-37-7
Multi CAS
Yes
Molecular Formula
C15H17N
Molecular Weight
211.300000
Exact Mass
211.136100
SMILES
CCCCC1=CN=C(C=C1)C2=CC=CC=C2
InChI
InChI=1S/C15H17N/c1-2-3-7-13-10-11-15(16-12-13)14-8-5-4-6-9-14/h4-6,8-12H,2-3,7H2,1H3
InChIKey
NHAVSAOASSCFES-UHFFFAOYSA-N
Synonyms
5-butyl-2-phenylpyridine Pyridine, 5-butyl-2-phenyl- 5-butyl-2-phenyl-pyridine MFCD00807470 STK037884

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.27
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
68.29
TPSA
12.89

LogP / Solubility

WLOGP
4.09
MLOGP
3.6
XLogP3
4.4
Consensus LogP
4.03
Log S (ESOL)
-4.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.91
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.1

Drug-likeness / Medicinal Chemistry

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

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