CAS RN: 80489-65-2
Rubifolic acid
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250505 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS80489-65-2
- Purity/Analytical Methods: >99.0%
80489-65-2 / (1R,2R,4aS,6aR,6aS,6bR,10S,12aR,14bS)-10-hydroxy-2-(hydroxymethyl)-1,6a,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
Basic Information
CAS
80489-65-2
Multi CAS
Yes
Molecular Formula
C30H48O4
Molecular Weight
472.700000
Exact Mass
472.355260
InChI
InChI=1S/C30H48O4/c1-18-19(17-31)9-14-30(25(33)34)16-15-28(5)20(24(18)30)7-8-22-27(4)12-11-23(32)26(2,3)21(27)10-13-29(22,28)6/h7,18-19,21-24,31-32H,8-17H2,1-6H3,(H,33,34)/t18-,19-,21?,22+,23-,24-,27-,28+,29+,30-/m0/s1
InChIKey
UBLKZBSRTSLNTC-RSMHQWJTSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
134.02
TPSA
77.76
LogP / Solubility
WLOGP
6.06
MLOGP
5.37
XLogP3
5.9
Consensus LogP
5.78
Log S (ESOL)
-6.46
Class (ESOL)
Insoluble
Log S (Ali)
-7.81
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8
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)
-1.3
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
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