[email protected]
CAS 467-81-2 rehmannic acid molecular structure lightbox
CAS RN: 467-81-2

rehmannic acid

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251220 1mg Out of stock Inquiry
  • Product code: starshine_CAS467-81-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

467-81-2 / (4R,4aS,6aR,6aS,6bR,8aR,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-4-(2-methylbut-2-enoyloxy)-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid

Standard CAS: 467-81-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
467-81-2
Multi CAS
Yes
Molecular Formula
C35H52O5
Molecular Weight
552.800000
Exact Mass
552.381475
InChI
InChI=1S/C35H52O5/c1-10-21(2)28(37)40-27-20-30(3,4)19-23-22-11-12-25-32(7)15-14-26(36)31(5,6)24(32)13-16-34(25,9)33(22,8)17-18-35(23,27)29(38)39/h10-11,23-25,27H,12-20H2,1-9H3,(H,38,39)/t23-,24-,25+,27+,32-,33+,34+,35-/m0/s1
InChIKey
KCLIRHUTOPOHKJ-QQAPFUPGSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
156.38
TPSA
80.67

LogP / Solubility

WLOGP
7.93
MLOGP
7.02
XLogP3
7.8
Consensus LogP
7.58
Log S (ESOL)
-8.07
Class (ESOL)
Insoluble
Log S (Ali)
-9.82
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.19
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-0.46

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
9

Customers Also Viewed

Get In Touch

Contact Us