CAS RN: 1639024-15-9
Karavilagenin F
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.20250603 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1639024-15-9
- Purity/Analytical Methods: >99.0%
1639024-15-9 / (3R,4R,6R)-6-[(1R,4S,5S,8R,9R,12S,13S,16S,19R)-16-hydroxy-19-methoxy-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-8-yl]-2-methylhept-1-ene-3,4-diol
Basic Information
CAS
1639024-15-9
Multi CAS
No
Molecular Formula
C31H50O5
Molecular Weight
502.700000
Exact Mass
502.365825
SMILES
C[C@H](C[C@H]([C@@H](C(=C)C)O)O)[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)O[C@H]4OC)C)C
InChI
InChI=1S/C31H50O5/c1-18(2)25(34)21(32)17-19(3)20-11-13-29(7)22-12-14-31-23(9-10-24(33)27(31,4)5)30(22,26(35-8)36-31)16-15-28(20,29)6/h12,14,19-26,32-34H,1,9-11,13,15-17H2,2-8H3/t19-,20-,21-,22+,23+,24+,25-,26-,28-,29+,30+,31-/m1/s1
InChIKey
LCFNRXHRJSACLK-CWTBIIKVSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Fraction Csp3
0.87
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
3
Molar refractivity
140.97
TPSA
79.15
LogP / Solubility
WLOGP
5.24
MLOGP
4.65
XLogP3
5.9
Consensus LogP
5.26
Log S (ESOL)
-5.86
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.46
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-2.07
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
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