[email protected]
CAS 55750-05-5 CAROVERINEHYDROCHLORIDE molecular structure lightbox
CAS RN: 55750-05-5

CAROVERINEHYDROCHLORIDE

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250816 100mg In stock Shanghai Inquiry
Batchno.20260206 10mg In stock Shanghai Inquiry
Batchno.20250207 250mg In stock Shanghai Inquiry
Batchno.20250717 25mg In stock Shanghai Inquiry
Batchno.20251121 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS55750-05-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

55750-05-5 / 1-[2-(diethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]quinoxalin-2-one;hydrochloride

Standard CAS: 55750-05-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
55750-05-5
Multi CAS
No
Molecular Formula
C22H28CLN3O2
Molecular Weight
401.900000
Exact Mass
401.187005
InChI
InChI=1S/C22H27N3O2.ClH/c1-4-24(5-2)14-15-25-21-9-7-6-8-19(21)23-20(22(25)26)16-17-10-12-18(27-3)13-11-17;/h6-13H,4-5,14-16H2,1-3H3;1H
InChIKey
JRNWTJUIMRLKBV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
16
Fraction Csp3
0.36
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
1
Molar refractivity
116.84
TPSA
47.36

LogP / Solubility

WLOGP
3.76
MLOGP
3.33
XLogP3
3.76
Consensus LogP
3.62
Log S (ESOL)
-4.6
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.35
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
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
2.5

Customers Also Viewed

Get In Touch

Contact Us