[email protected]
CAS 1646682-14-5 FD-IN-1 molecular structure lightbox
CAS RN: 1646682-14-5

FD-IN-1

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260319 5mg / 10mg / 25mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1646682-14-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1646682-14-5 / 2-[2-[[3-[3-[(1S)-1-amino-2-hydroxyethyl]phenyl]phenyl]methoxy]phenyl]acetic acid

Standard CAS: 1646682-14-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1646682-14-5
Multi CAS
No
Molecular Formula
C23H23NO4
Molecular Weight
377.400000
Exact Mass
377.162708
SMILES
C1=CC=C(C(=C1)CC(=O)O)OCC2=CC(=CC=C2)C3=CC(=CC=C3)[C@@H](CO)N
InChI
InChI=1S/C23H23NO4/c24-21(14-25)19-9-4-8-18(12-19)17-7-3-5-16(11-17)15-28-22-10-2-1-6-20(22)13-23(26)27/h1-12,21,25H,13-15,24H2,(H,26,27)/t21-/m1/s1
InChIKey
XHLXBWRISOPXQB-OAQYLSRUSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
18
Fraction Csp3
0.17
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
3
Molar refractivity
108.01
TPSA
92.78

LogP / Solubility

WLOGP
3.55
MLOGP
3.15
XLogP3
-0.4
Consensus LogP
2.1
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.02
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us