CAS RN: 1363422-85-8
25-O-Methylkaravilagenin D
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.20260619 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1363422-85-8
- Purity/Analytical Methods: >99.0%
1363422-85-8 / (1R,4S,5S,8R,9R,12S,13S,16S)-16-hydroxy-8-[(E,2R)-6-methoxy-6-methylhept-4-en-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-19-one
Basic Information
CAS
1363422-85-8
Multi CAS
No
Molecular Formula
C31H48O4
Molecular Weight
484.700000
Exact Mass
484.355260
SMILES
C[C@H](C/C=C/C(C)(C)OC)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2C=C[C@]5([C@H]3CC[C@@H](C5(C)C)O)OC4=O)C)C
InChI
InChI=1S/C31H48O4/c1-20(10-9-15-26(2,3)34-8)21-13-16-29(7)22-14-17-31-23(11-12-24(32)27(31,4)5)30(22,25(33)35-31)19-18-28(21,29)6/h9,14-15,17,20-24,32H,10-13,16,18-19H2,1-8H3/b15-9+/t20-,21-,22+,23+,24+,28-,29+,30+,31-/m1/s1
InChIKey
CDMNUIHDPJBCDT-XGCHVDKFSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Fraction Csp3
0.84
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
138.58
TPSA
55.76
LogP / Solubility
WLOGP
6.48
MLOGP
5.73
XLogP3
6.4
Consensus LogP
6.2
Log S (ESOL)
-6.59
Class (ESOL)
Insoluble
Log S (Ali)
-8.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.79
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)
-1.08
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
10
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