CAS RN: 670257-89-3
Pepluanin A
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250707 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS670257-89-3
- Purity/Analytical Methods: >99.0%
670257-89-3 / (2,4,10,11,13-pentaacetyloxy-1-benzoyloxy-3a-hydroxy-2,5,8,8-tetramethyl-12-methylidene-3,4,5,9,10,11,13,13a-octahydro-1H-cyclopenta[12]annulen-9-yl) pyridine-3-carboxylate
Basic Information
CAS
670257-89-3
Multi CAS
Yes
Molecular Formula
C43H51NO15
Molecular Weight
821.900000
Exact Mass
821.325870
InChI
InChI=1S/C43H51NO15/c1-23-18-19-41(8,9)38(58-40(51)31-17-14-20-44-21-31)35(55-27(5)47)34(54-26(4)46)24(2)33(53-25(3)45)32-37(57-39(50)30-15-12-11-13-16-30)42(10,59-29(7)49)22-43(32,52)36(23)56-28(6)48/h11-21,23,32-38,52H,2,22H2,1,3-10H3
InChIKey
SHDZRELSKRRBMR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
59
Aromatic heavy atom count
12
Fraction Csp3
0.49
Rotatable bonds
9
H-bond acceptors
16
H-bond donors
1
Molar refractivity
205.75
TPSA
217.22
LogP / Solubility
WLOGP
4.42
MLOGP
3.96
XLogP3
4.3
Consensus LogP
4.23
Log S (ESOL)
-7.28
Class (ESOL)
Insoluble
Log S (Ali)
-9.49
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.75
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.59
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
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