CAS RN: 5697-56-3
Carbenoxolone
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260112 | 250mg | Out of stock | Inquiry |
- Product code: starshine_CAS5697-56-3
- Purity/Analytical Methods: >99.0%
5697-56-3 / 10-(3-carboxypropanoyloxy)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
Basic Information
CAS
5697-56-3
Multi CAS
Yes
Molecular Formula
C34H50O7
Molecular Weight
570.800000
Exact Mass
570.355654
InChI
InChI=1S/C34H50O7/c1-29(2)23-10-13-34(7)27(32(23,5)12-11-24(29)41-26(38)9-8-25(36)37)22(35)18-20-21-19-31(4,28(39)40)15-14-30(21,3)16-17-33(20,34)6/h18,21,23-24,27H,8-17,19H2,1-7H3,(H,36,37)(H,39,40)
InChIKey
OBZHEBDUNPOCJG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
41
Fraction Csp3
0.82
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
153.81
TPSA
117.97
LogP / Solubility
WLOGP
6.83
MLOGP
6.05
XLogP3
6.4
Consensus LogP
6.43
Log S (ESOL)
-7.35
Class (ESOL)
Insoluble
Log S (Ali)
-9.17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.64
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)
-1.35
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
9.5
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