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CAS 1228603-87-9 (2R,5S)-2-butyl-5-propylpyrrolidine, 97%(HPLC) molecular structure lightbox
CAS RN: 1228603-87-9

(2R,5S)-2-butyl-5-propylpyrrolidine, 97%(HPLC)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260324 200mg Out of stock 5-7 business days Inquiry
  • Product code: LINR926793
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1228603-87-9 / (2R,5S)-2-butyl-5-propylpyrrolidine

Standard CAS: 1228603-87-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1228603-87-9
Multi CAS
No
Molecular Formula
C11H23N
Molecular Weight
169.310000
Exact Mass
169.183050
SMILES
CCCC[C@@H]1CC[C@@H](N1)CCC
InChI
InChI=1S/C11H23N/c1-3-5-7-11-9-8-10(12-11)6-4-2/h10-12H,3-9H2,1-2H3/t10-,11+/m0/s1
InChIKey
ZYYRGIIKYRSMCS-WDEREUQCSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
54.38
TPSA
12.03

LogP / Solubility

WLOGP
3.1
MLOGP
2.72
XLogP3
3.5
Consensus LogP
3.11
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.93
Class (SILICOS-IT)
Poorly 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)
-1.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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