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CAS 97216-16-5 L-PROLINE BETA-NAPHTHYLAMIDE HYDROCHLORIDE molecular structure lightbox
CAS RN: 97216-16-5

L-PROLINE BETA-NAPHTHYLAMIDE HYDROCHLORIDE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250517 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
  • Product code: starshine_CAS97216-16-5
  • Purity/Analytical Methods: >99.0%
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97216-16-5 / (2S)-N-naphthalen-2-ylpyrrolidine-2-carboxamide;hydrochloride

Standard CAS: 97216-16-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
97216-16-5
Multi CAS
Yes
Molecular Formula
C15H17CLN2O
Molecular Weight
276.760000
Exact Mass
276.102941
InChI
InChI=1S/C15H16N2O.ClH/c18-15(14-6-3-9-16-14)17-13-8-7-11-4-1-2-5-12(11)10-13;/h1-2,4-5,7-8,10,14,16H,3,6,9H2,(H,17,18);1H/t14-;/m0./s1
InChIKey
UKXYCTFKKXKIPY-UQKRIMTDSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
10
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
80.85
TPSA
41.13

LogP / Solubility

WLOGP
2.95
MLOGP
2.61
XLogP3
2.95
Consensus LogP
2.84
Log S (ESOL)
-3.67
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.96
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.15
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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