CAS RN: 1042143-83-8
Yunnandaphninine G
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.20251208 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1042143-83-8
- Purity/Analytical Methods: >99.0%
1042143-83-8 / (1S,5S)-2-hydroxy-1,5-dimethyl-8-[2-[(1S,2R,7R)-1-methyl-14-propan-2-yl-12-azapentacyclo[8.6.0.02,13.03,7.07,12]hexadecan-2-yl]ethyl]-6-oxabicyclo[3.2.1]octan-7-one
Yunnandaphninine G | SRB14383 | 2-hydroxy-1,5-dimethyl-8-[2-[(3S,7R)-1-methyl-14-propan-2-yl-12-azapentacyclo[8.6.0.0^{2,13.0^{3,7.0^{7,12]hexadecan-2-yl]ethyl]-6-oxabicyclo[3.2.1]octan-7-one
Basic Information
CAS
1042143-83-8
Multi CAS
Yes
Molecular Formula
C30H47NO3
Molecular Weight
469.700000
Exact Mass
469.355594
SMILES
CC(C)C1CC[C@]2(C3CC[C@]45CCCC4[C@]2(C1N5C3)CCC6[C@@]7(CCC([C@]6(C(=O)O7)C)O)C)C
InChI
InChI=1S/C30H47NO3/c1-18(2)20-9-13-26(3)19-8-15-29-12-6-7-22(29)30(26,24(20)31(29)17-19)16-10-21-27(4)14-11-23(32)28(21,5)25(33)34-27/h18-24,32H,6-17H2,1-5H3
InChIKey
RBVPIMQHYHLJGS-UHFFFAOYSA-N
Synonyms
Yunnandaphninine G
SRB14383
2-hydroxy-1,5-dimethyl-8-[2-[(3S,7R)-1-methyl-14-propan-2-yl-12-azapentacyclo[8.6.0.0^{2,13.0^{3,7.0^{7,12]hexadecan-2-yl]ethyl]-6-oxabicyclo[3.2.1]octan-7-one
Computed Properties
Structural Parameters
Heavy atom count
34
Fraction Csp3
0.97
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
131.96
TPSA
49.77
LogP / Solubility
WLOGP
5.56
MLOGP
4.93
XLogP3
5.7
Consensus LogP
5.4
Log S (ESOL)
-5.99
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.43
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.81
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
10
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