CAS RN: 2415256-16-3
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.20250107 | 25mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS2415256-16-3
- Purity/Analytical Methods: >99.0%
2415256-16-3 / tert-butyl N-[(2S)-1-[[(1S)-2-[(2S,4S)-4-[[2-[2-(2-aminoethoxy)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
2415256-16-3
Multi CAS
No
Molecular Formula
C38H60N6O8
Molecular Weight
728.900000
Exact Mass
728.447263
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)COCCOCCN)N(C)C(=O)OC(C)(C)C
InChI
InChI=1S/C38H60N6O8/c1-25(43(5)37(49)52-38(2,3)4)34(46)42-33(27-13-7-6-8-14-27)36(48)44-23-28(40-32(45)24-51-21-20-50-19-18-39)22-31(44)35(47)41-30-17-11-15-26-12-9-10-16-29(26)30/h9-10,12,16,25,27-28,30-31,33H,6-8,11,13-15,17-24,39H2,1-5H3,(H,40,45)(H,41,47)(H,42,46)/t25-,28-,30+,31-,33-/m0/s1
InChIKey
LEBUBVVDWZLBBX-SHHSPICZSA-N
Computed Properties
Structural Parameters
Heavy atom count
52
Aromatic heavy atom count
6
Fraction Csp3
0.71
Rotatable bonds
15
H-bond acceptors
9
H-bond donors
4
Molar refractivity
194.97
TPSA
181.63
LogP / Solubility
WLOGP
2.58
MLOGP
2.33
XLogP3
2.8
Consensus LogP
2.57
Log S (ESOL)
-5.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.4
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.34
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)
-5.34
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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