[email protected]
CAS 618390-67-3 1-Oxohederagenin molecular structure lightbox
CAS RN: 618390-67-3

1-Oxohederagenin

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251224 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS618390-67-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

618390-67-3 / (4aS,6aS,6aS,6bR,8aS,9R,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-12-oxo-3,4,5,6,6a,7,8,8a,10,11,13,14b-dodecahydro-1H-picene-4a-carboxylic acid

Standard CAS: 618390-67-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
618390-67-3
Multi CAS
Yes
Molecular Formula
C30H46O5
Molecular Weight
486.700000
Exact Mass
486.334525
InChI
InChI=1S/C30H46O5/c1-25(2)11-13-30(24(34)35)14-12-27(4)18(19(30)16-25)7-8-21-28(27,5)10-9-20-26(3,17-31)22(32)15-23(33)29(20,21)6/h7,19-22,31-32H,8-17H2,1-6H3,(H,34,35)/t19-,20-,21-,22-,26-,27+,28+,29-,30-/m0/s1
InChIKey
BYWZDPHXZQSASO-DLRRJOOFSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Fraction Csp3
0.87
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
3
Molar refractivity
134.48
TPSA
94.83

LogP / Solubility

WLOGP
5.39
MLOGP
4.77
XLogP3
5.5
Consensus LogP
5.22
Log S (ESOL)
-6.12
Class (ESOL)
Insoluble
Log S (Ali)
-7.44
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.53
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8

Customers Also Viewed

Get In Touch

Contact Us