[email protected]
CAS 2177258-00-1 3-((2R)PYRROLIDIN-2-YL)PHENYLAMINE DIHYDROCHLORIDE molecular structure lightbox
CAS RN: 2177258-00-1

3-((2R)PYRROLIDIN-2-YL)PHENYLAMINE DIHYDROCHLORIDE

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251205 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS2177258-00-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

2177258-00-1 / 3-[(2R)-pyrrolidin-2-yl]aniline;dihydrochloride

Standard CAS: 2177258-00-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2177258-00-1
Multi CAS
No
Molecular Formula
C10H16Cl2N2
Molecular Weight
235.150000
Exact Mass
234.069054
SMILES
C1C[C@@H](NC1)C2=CC(=CC=C2)N.Cl.Cl
InChI
InChI=1S/C10H14N2.2ClH/c11-9-4-1-3-8(7-9)10-5-2-6-12-10;;/h1,3-4,7,10,12H,2,5-6,11H2;2*1H/t10-;;/m1../s1
InChIKey
GLKASUHDSGOEJJ-YQFADDPSSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
65.33
TPSA
38.05

LogP / Solubility

WLOGP
2.54
MLOGP
2.24
XLogP3
2.54
Consensus LogP
2.44
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
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)
-2.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us