[email protected]
CAS 852180-66-6 N-METHYL-N-(2-THIEN-2-YLBENZYL)AMINE molecular structure lightbox
CAS RN: 852180-66-6

N-METHYL-N-(2-THIEN-2-YLBENZYL)AMINE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250805 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS852180-66-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

852180-66-6 / N-methyl-1-(2-thiophen-2-ylphenyl)methanamine

Standard CAS: 852180-66-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
852180-66-6
Multi CAS
No
Molecular Formula
C12H13NS
Molecular Weight
203.310000
Exact Mass
203.076871
InChI
InChI=1S/C12H13NS/c1-13-9-10-5-2-3-6-11(10)12-7-4-8-14-12/h2-8,13H,9H2,1H3
InChIKey
MRKJJEJYTBOUTH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
62.52
TPSA
12.03

LogP / Solubility

WLOGP
3.13
MLOGP
2.76
XLogP3
2.6
Consensus LogP
2.83
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.49
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
Class (SILICOS-IT)
Poorly 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)
-1.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us