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CAS 49637-21-0 4-PYRROLIDIN-1-YL-BUTYRIC ACID HYDROCHLORIDE molecular structure lightbox
CAS RN: 49637-21-0

4-PYRROLIDIN-1-YL-BUTYRIC ACID HYDROCHLORIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250126 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS49637-21-0
  • Purity/Analytical Methods: >99.0%
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49637-21-0 / 4-pyrrolidin-1-ylbutanoic acid;hydrochloride

Standard CAS: 49637-21-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
49637-21-0
Multi CAS
Yes
Molecular Formula
C8H16CLNO2
Molecular Weight
193.670000
Exact Mass
193.086956
InChI
InChI=1S/C8H15NO2.ClH/c10-8(11)4-3-7-9-5-1-2-6-9;/h1-7H2,(H,10,11);1H
InChIKey
ZEWPJQOFVHRHKN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.88
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.79
TPSA
40.54

LogP / Solubility

WLOGP
1.37
MLOGP
1.2
XLogP3
1.37
Consensus LogP
1.31
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
Class (SILICOS-IT)
Moderately 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)
-2.93

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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