[email protected]
CAS 100710-36-9 2-NAPHTHALEN-2-YL-PYRROLIDINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 100710-36-9

2-NAPHTHALEN-2-YL-PYRROLIDINE HYDROCHLORIDE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250327 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS100710-36-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

100710-36-9 / 2-naphthalen-2-ylpyrrolidine;hydrochloride

2-(naphthalen-2-yl)pyrrolidine hydrochloride | MFCD06740439 | 2-naphthalen-2-ylpyrrolidine;hydrochloride

Standard CAS: 100710-36-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
100710-36-9
Multi CAS
No
Molecular Formula
C14H16ClN
Molecular Weight
233.730000
Exact Mass
233.097127
SMILES
C1CC(NC1)C2=CC3=CC=CC=C3C=C2.Cl
InChI
InChI=1S/C14H15N.ClH/c1-2-5-12-10-13(8-7-11(12)4-1)14-6-3-9-15-14;/h1-2,4-5,7-8,10,14-15H,3,6,9H2;1H
InChIKey
PIHQPDGYUTULSZ-UHFFFAOYSA-N
Synonyms
2-(naphthalen-2-yl)pyrrolidine hydrochloride MFCD06740439 2-naphthalen-2-ylpyrrolidine;hydrochloride 2-Naphthalen-2-yl-pyrrolidine hydrochloride AEA71036

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
71.17
TPSA
12.03

LogP / Solubility

WLOGP
3.69
MLOGP
3.25
XLogP3
3.69
Consensus LogP
3.54
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.36
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.53

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us