CAS RN: 6812-81-3
roburic acid
Product Availability
Choose a grade to view its available package options.
7 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260414 | 100mg | Out of stock | Inquiry | |
| Batchno.20251224 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250204 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250717 | 250mg | Out of stock | Inquiry | |
| Batchno.20260109 | 2mg | In stock | Shanghai | Inquiry |
| Batchno.20251130 | 50mg | Out of stock | Inquiry | |
| Batchno.20260617 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS6812-81-3
- Purity/Analytical Methods: >99.0%
6812-81-3 / 3-(1,4a,4b,6a,9,10-hexamethyl-2-prop-1-en-2-yl-2,3,4,5,6,7,8,9,10,10a,12,12a-dodecahydrochrysen-1-yl)propanoic acid
Basic Information
CAS
6812-81-3
Multi CAS
Yes
Molecular Formula
C30H48O2
Molecular Weight
440.700000
Exact Mass
440.365431
InChI
InChI=1S/C30H48O2/c1-19(2)22-12-16-30(8)24(28(22,6)15-13-25(31)32)10-9-23-26-21(4)20(3)11-14-27(26,5)17-18-29(23,30)7/h9,20-22,24,26H,1,10-18H2,2-8H3,(H,31,32)/t20-,21+,22+,24-,26+,27-,28+,29-,30-/m1/s1
InChIKey
RPPYCVULPFKBOG-CSHKLQQTSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Fraction Csp3
0.83
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
133.31
TPSA
37.3
LogP / Solubility
WLOGP
8.28
MLOGP
7.32
XLogP3
9.1
Consensus LogP
8.23
Log S (ESOL)
-7.53
Class (ESOL)
Insoluble
Log S (Ali)
-9.16
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.88
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.47
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
7.5
Customers Also Viewed
-
3β-Hydroxyurs-12,19-dien-28-oic acid
- CAS RN: 6812-98-2
- Product Code: starshine_CAS6812-98-2
- Purity/Analytical method: >99.0%
-
-
-
-
-
Isoliensinine
- CAS RN: 6817-41-0
- Product Code: starshine_CAS6817-41-0
- Purity/Analytical method: >99.0%
![CAS 6813-54-3 1,4-DIOXA-8-AZASPIRO[4.5]DECAN-7-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/6813-54-3.gif)
