CAS RN: 2415256-19-6
INDEX NAME NOT YET ASSIGNED
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251207 | 25mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS2415256-19-6
- Purity/Analytical Methods: >99.0%
2415256-19-6 / tert-butyl N-[(2S)-1-[[(1S)-2-[(2S,4S)-4-[[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]acetyl]amino]-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate
Basic Information
CAS
2415256-19-6
Multi CAS
No
Molecular Formula
C40H64N6O9
Molecular Weight
773.000000
Exact Mass
772.473478
SMILES
C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H](C[C@H]2C(=O)N[C@@H]3CCCC4=CC=CC=C34)NC(=O)COCCOCCOCCN)N(C)C(=O)OC(C)(C)C
InChI
InChI=1S/C40H64N6O9/c1-27(45(5)39(51)55-40(2,3)4)36(48)44-35(29-13-7-6-8-14-29)38(50)46-25-30(42-34(47)26-54-23-22-53-21-20-52-19-18-41)24-33(46)37(49)43-32-17-11-15-28-12-9-10-16-31(28)32/h9-10,12,16,27,29-30,32-33,35H,6-8,11,13-15,17-26,41H2,1-5H3,(H,42,47)(H,43,49)(H,44,48)/t27-,30-,32+,33-,35-/m0/s1
InChIKey
GMINGXHDLXLBQM-OKACIRJISA-N
Computed Properties
Structural Parameters
Heavy atom count
55
Aromatic heavy atom count
6
Fraction Csp3
0.72
Rotatable bonds
18
H-bond acceptors
10
H-bond donors
4
Molar refractivity
205.79
TPSA
190.86
LogP / Solubility
WLOGP
2.59
MLOGP
2.35
XLogP3
2.6
Consensus LogP
2.51
Log S (ESOL)
-5.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.77
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-5.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7
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