CAS RN: 39011-91-1
oxypaeoniflora
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: starshine_CAS39011-91-1
- Purity/Analytical Methods: >99.0%
39011-91-1 / [(2S,3R,5R,6R,8S)-6-hydroxy-8-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl 4-hydroxybenzoate
Basic Information
CAS
39011-91-1
Multi CAS
Yes
Molecular Formula
C23H28O12
Molecular Weight
496.500000
Exact Mass
496.158076
InChI
InChI=1S/C23H28O12/c1-20-8-22(30)13-6-23(20,33-18-16(28)15(27)14(26)12(7-24)32-18)21(13,19(34-20)35-22)9-31-17(29)10-2-4-11(25)5-3-10/h2-5,12-16,18-19,24-28,30H,6-9H2,1H3/t12-,13-,14-,15+,16-,18+,19-,20+,21+,22-,23+/m1/s1
InChIKey
FCHVXNVDFYXLIL-WRJNSLSBSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
6
Fraction Csp3
0.7
Rotatable bonds
6
H-bond acceptors
12
H-bond donors
6
Molar refractivity
110.44
TPSA
184.6
LogP / Solubility
WLOGP
-1.65
MLOGP
-1.42
XLogP3
-1.4
Consensus LogP
-1.49
Log S (ESOL)
-1.61
Class (ESOL)
Soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.92
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10
Customers Also Viewed
-
nuezhenide
- CAS RN: 39011-92-2
- Product Code: starshine_CAS39011-92-2
- Purity/Analytical method: >99.0%
-
3′,6-Dimethoxy-4′,5,7-trihydroxyisoflavone
- CAS RN: 39012-01-6
- Product Code: starshine_CAS39012-01-6
- Purity/Analytical method: >99.0%
-
epimedoside A
- CAS RN: 39012-04-9
- Product Code: starshine_CAS39012-04-9
- Purity/Analytical method: >99.0%
-
Picroside II
- CAS RN: 39012-20-9
- Product Code: starshine_CAS39012-20-9
- Purity/Analytical method: >99.0%
-
C-PEPTIDE (DOG)
- CAS RN: 39016-05-2
- Product Code: starshine_CAS39016-05-2
- Purity/Analytical method: >99.0%
-
.gif)
