[email protected]
CAS 184653-84-7 Carabersat molecular structure lightbox
CAS RN: 184653-84-7

Carabersat

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260614 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS184653-84-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

184653-84-7 / N-[(3R,4S)-6-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-fluorobenzamide

Standard CAS: 184653-84-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
184653-84-7
Multi CAS
No
Molecular Formula
C20H20FNO4
Molecular Weight
357.400000
Exact Mass
357.137636
SMILES
CC(=O)C1=CC2=C(C=C1)OC([C@@H]([C@H]2NC(=O)C3=CC=C(C=C3)F)O)(C)C
InChI
InChI=1S/C20H20FNO4/c1-11(23)13-6-9-16-15(10-13)17(18(24)20(2,3)26-16)22-19(25)12-4-7-14(21)8-5-12/h4-10,17-18,24H,1-3H3,(H,22,25)/t17-,18+/m0/s1
InChIKey
RCLXAPJEFHPYEG-ZWKOTPCHSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
93.77
TPSA
75.63

LogP / Solubility

WLOGP
3.03
MLOGP
2.69
XLogP3
2.3
Consensus LogP
2.67
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.86
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

Customers Also Viewed

Get In Touch

Contact Us