[email protected]
CAS 976-71-6 Canrenone molecular structure lightbox
CAS RN: 976-71-6

Canrenone

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityInquiry
Batchno.20250928 1g In stock Inquiry
Batchno.20250423 250mg In stock Inquiry
Batchno.20251029 25g In stock Inquiry
Batchno.20260108 5g In stock Inquiry
Batch No.PackageAvailabilityInquiry
Batchno.20260506 1ml In stock Inquiry
  • Product code: starshine_CAS976-71-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

976-71-6 / (8R,9S,10R,13S,14S,17R)-10,13-dimethylspiro[2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione

Standard CAS: 976-71-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
976-71-6
Multi CAS
Yes
Molecular Formula
C22H28O3
Molecular Weight
340.500000
Exact Mass
340.203845
InChI
InChI=1S/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3/t16-,17+,18+,20+,21+,22-/m1/s1
InChIKey
UJVLDDZCTMKXJK-WNHSNXHDSA-N

Physical Properties

Melting Point
150 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
0.73
H-bond acceptors
3
Molar refractivity
94.67
TPSA
43.37

LogP / Solubility

WLOGP
4.37
MLOGP
3.86
XLogP3
2.7
Consensus LogP
3.64
Log S (ESOL)
-4.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.5
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7.5

Customers Also Viewed

Get In Touch

Contact Us