[email protected]
CAS 35021-10-4 DANSYL-L-ALANINE PIPERIDINIUM SALT molecular structure lightbox
CAS RN: 35021-10-4

DANSYL-L-ALANINE PIPERIDINIUM SALT

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250202 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS35021-10-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

35021-10-4 / 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propanoic acid

Standard CAS: 35021-10-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
35021-10-4
Multi CAS
Yes
Molecular Formula
C15H18N2O4S
Molecular Weight
322.400000
Exact Mass
322.098728
InChI
InChI=1S/C15H18N2O4S/c1-10(15(18)19)16-22(20,21)14-9-5-6-11-12(14)7-4-8-13(11)17(2)3/h4-10,16H,1-3H3,(H,18,19)/t10-/m0/s1
InChIKey
JCIYZTBXUJCAMW-JTQLQIEISA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
10
Fraction Csp3
0.27
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
85.69
TPSA
86.71

LogP / Solubility

WLOGP
1.66
MLOGP
1.47
XLogP3
2.4
Consensus LogP
1.84
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us