[email protected]
CAS 848035-21-2 Compound 48/80 (hydrochloride) molecular structure lightbox
CAS RN: 848035-21-2

Compound 48/80 (hydrochloride)

Product Availability

Choose a grade to view its available package options.

3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251211 10mg In stock Shanghai, Shandong, Guangdong, Chongqing Inquiry
Batchno.20250419 250mg Out of stock 5-7 business days Inquiry
Batchno.20260509 50mg In stock Shanghai, Shandong Inquiry
  • Product code: starshine_CAS848035-21-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

848035-21-2 / 2-[4-methoxy-3-[[2-methoxy-3-[[2-methoxy-5-[2-(methylamino)ethyl]phenyl]methyl]-5-[2-(methylamino)ethyl]phenyl]methyl]phenyl]-N-methylethanamine;trihydrochloride

Standard CAS: 848035-21-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
848035-21-2
Multi CAS
Yes
Molecular Formula
C32H48CL3N3O3
Molecular Weight
629.100000
Exact Mass
627.276125
InChI
InChI=1S/C32H45N3O3.3ClH/c1-33-14-11-23-7-9-30(36-4)26(17-23)21-28-19-25(13-16-35-3)20-29(32(28)38-6)22-27-18-24(12-15-34-2)8-10-31(27)37-5;;;/h7-10,17-20,33-35H,11-16,21-22H2,1-6H3;3*1H
InChIKey
KIAWAQJORBNOIF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
41
Aromatic heavy atom count
18
Fraction Csp3
0.44
Rotatable bonds
16
H-bond acceptors
6
H-bond donors
3
Molar refractivity
179.23
TPSA
63.78

LogP / Solubility

WLOGP
5.45
MLOGP
4.84
XLogP3
5.45
Consensus LogP
5.25
Log S (ESOL)
-6.44
Class (ESOL)
Insoluble
Log S (Ali)
-8.65
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.19
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.69

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
4

Customers Also Viewed

Get In Touch

Contact Us