CAS RN: 465-74-7
Quivic acid
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: starshine_CAS465-74-7
- Purity/Analytical Methods: >99.0%
465-74-7 / (1S,2R,4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a,6a-dicarboxylic acid
Basic Information
CAS
465-74-7
Multi CAS
Yes
Molecular Formula
C30H46O5
Molecular Weight
486.700000
Exact Mass
486.334525
InChI
InChI=1S/C30H46O5/c1-17-9-14-29(24(32)33)15-16-30(25(34)35)19(23(29)18(17)2)7-8-21-27(5)12-11-22(31)26(3,4)20(27)10-13-28(21,30)6/h7,17-18,20-23,31H,8-16H2,1-6H3,(H,32,33)(H,34,35)/t17-,18+,20+,21-,22+,23+,27+,28-,29+,30-/m1/s1
InChIKey
OJUYFGQEMPENCE-DPKHZRJYSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Fraction Csp3
0.87
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
134.57
TPSA
94.83
LogP / Solubility
WLOGP
6.15
MLOGP
5.45
XLogP3
5.9
Consensus LogP
5.83
Log S (ESOL)
-6.6
Class (ESOL)
Insoluble
Log S (Ali)
-7.99
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.17
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)
-1.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8.5
Customers Also Viewed
-
MARRUBIIN
- CAS RN: 465-92-9
- Product Code: starshine_CAS465-92-9
- Purity/Analytical method: >99.0%
-
Hedragonic acid
- CAS RN: 466-02-4
- Product Code: starshine_CAS466-02-4
- Purity/Analytical method: >99.0%
-
PROSCILLARIDIN A
- CAS RN: 466-06-8
- Product Code: starshine_CAS466-06-8
- Purity/Analytical method: >99.0%
-
NERIIFOLIN
- CAS RN: 466-07-9
- Product Code: starshine_CAS466-07-9
- Purity/Analytical method: >99.0%
-
Uzarigenin
- CAS RN: 466-09-1
- Product Code: starshine_CAS466-09-1
- Purity/Analytical method: >99.0%
-
benzoylaconine
- CAS RN: 466-24-0
- Product Code: starshine_CAS466-24-0
- Purity/Analytical method: >99.0%
