CAS RN: 145459-19-4
Heterophyllin B
Product Availability
Choose a grade to view its available package options.
13 package records9 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250201 | 100mg | Out of stock | Inquiry | ||
| Batchno.20250613 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260215 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20260127 | 250mg | Out of stock | Inquiry | ||
| Batchno.20260312 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250904 | 50mg | Out of stock | Inquiry | ||
| Batchno.20250509 | 5mg | In stock | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250929 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS145459-19-4
- Purity/Analytical Methods: >99.0%
145459-19-4 / (3S,9S,15S,24S,27S,30S)-24-benzyl-27-[(2S)-butan-2-yl]-15-(2-methylpropyl)-1,7,13,16,19,22,25,28-octazatetracyclo[28.3.0.03,7.09,13]tritriacontane-2,8,14,17,20,23,26,29-octone
Basic Information
CAS
145459-19-4
Multi CAS
No
Molecular Formula
C40H58N8O8
Molecular Weight
778.900000
Exact Mass
778.437761
SMILES
CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N1)CC(C)C)CC5=CC=CC=C5
InChI
InChI=1S/C40H58N8O8/c1-5-25(4)34-37(53)44-27(21-26-12-7-6-8-13-26)35(51)42-22-32(49)41-23-33(50)43-28(20-24(2)3)38(54)47-18-10-15-30(47)40(56)48-19-11-16-31(48)39(55)46-17-9-14-29(46)36(52)45-34/h6-8,12-13,24-25,27-31,34H,5,9-11,14-23H2,1-4H3,(H,41,49)(H,42,51)(H,43,50)(H,44,53)(H,45,52)/t25-,27-,28-,29-,30-,31-,34-/m0/s1
InChIKey
KYAVLJJQNUHRMR-PPLFBOPFSA-N
Computed Properties
Structural Parameters
Heavy atom count
56
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
5
Molar refractivity
205.07
TPSA
206.43
LogP / Solubility
WLOGP
-0.01
MLOGP
0.06
XLogP3
2.3
Consensus LogP
0.78
Log S (ESOL)
-4.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.44
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-7.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
10
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