CAS RN: 2376321-20-7
Stephalonine N
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.20260527 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2376321-20-7
- Purity/Analytical Methods: >99.0%
2376321-20-7 / [(1S,8R,10S,11R,12S,13S)-3,4,11,12-tetramethoxy-17-methyl-18-oxa-17-azapentacyclo[8.4.3.18,11.01,10.02,7]octadeca-2(7),3,5-trien-13-yl] 3,4-dimethoxybenzoate
Basic Information
CAS
2376321-20-7
Multi CAS
No
Molecular Formula
C30H37NO9
Molecular Weight
555.600000
Exact Mass
555.246832
SMILES
CN1CC[C@@]23[C@]14C[C@H](C5=C2C(=C(C=C5)OC)OC)O[C@]4([C@H]([C@H](C3)OC(=O)C6=CC(=C(C=C6)OC)OC)OC)OC
InChI
InChI=1S/C30H37NO9/c1-31-13-12-28-15-23(39-27(32)17-8-10-19(33-2)21(14-17)35-4)26(37-6)30(38-7)29(28,31)16-22(40-30)18-9-11-20(34-3)25(36-5)24(18)28/h8-11,14,22-23,26H,12-13,15-16H2,1-7H3/t22-,23+,26+,28+,29+,30+/m1/s1
InChIKey
ZJVAKRVTPDQSFJ-FCXLCIDDSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
12
Fraction Csp3
0.57
Rotatable bonds
8
H-bond acceptors
10
Molar refractivity
143.55
TPSA
94.15
LogP / Solubility
WLOGP
3.5
MLOGP
3.12
XLogP3
3
Consensus LogP
3.21
Log S (ESOL)
-5.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.13
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
10
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