CAS RN: 149385-65-9
H-ILE-ILE-GLY-LEU-MET-OH
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.20250130 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS149385-65-9
- Purity/Analytical Methods: >99.0%
149385-65-9 / (2S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoic acid
Basic Information
CAS
149385-65-9
Multi CAS
No
Molecular Formula
C25H47N5O6S
Molecular Weight
545.700000
Exact Mass
545.324705
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)O)N
InChI
InChI=1S/C25H47N5O6S/c1-8-15(5)20(26)23(33)30-21(16(6)9-2)24(34)27-13-19(31)28-18(12-14(3)4)22(32)29-17(25(35)36)10-11-37-7/h14-18,20-21H,8-13,26H2,1-7H3,(H,27,34)(H,28,31)(H,29,32)(H,30,33)(H,35,36)/t15-,16-,17-,18-,20-,21-/m0/s1
InChIKey
ZMDGLWRNBGRYQB-ZKHIMWLXSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Fraction Csp3
0.8
Rotatable bonds
18
H-bond acceptors
7
H-bond donors
6
Molar refractivity
145.78
TPSA
179.72
LogP / Solubility
WLOGP
0.86
MLOGP
0.8
XLogP3
-1.1
Consensus LogP
0.19
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.08
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.44
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7
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