[email protected]
CAS 337469-26-8 337469-26-8 molecular structure lightbox
CAS RN: 337469-26-8

337469-26-8

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260412 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS337469-26-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

337469-26-8 / 2-[(7-chloro-1-benzothiophen-3-yl)methyl-ethylamino]ethanol

Standard CAS: 337469-26-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
337469-26-8
Multi CAS
No
Molecular Formula
C13H16CLNOS
Molecular Weight
269.790000
Exact Mass
269.064113
InChI
InChI=1S/C13H16ClNOS/c1-2-15(6-7-16)8-10-9-17-13-11(10)4-3-5-12(13)14/h3-5,9,16H,2,6-8H2,1H3
InChIKey
UBKAIKSTBNAJDV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.38
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
74.87
TPSA
23.47

LogP / Solubility

WLOGP
3.37
MLOGP
2.97
XLogP3
3.1
Consensus LogP
3.15
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.81
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)
-1.97

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us