CAS RN: 252557-97-4
Z-Ile-Glu-Pro-Phe-OMe
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.20260425 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS252557-97-4
- Purity/Analytical Methods: >99.0%
252557-97-4 / (4S)-5-[(2S)-2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-[[(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxopentanoic acid
Basic Information
CAS
252557-97-4
Multi CAS
No
Molecular Formula
C34H44N4O9
Molecular Weight
652.700000
Exact Mass
652.310829
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC)NC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C34H44N4O9/c1-4-22(2)29(37-34(45)47-21-24-14-9-6-10-15-24)31(42)35-25(17-18-28(39)40)32(43)38-19-11-16-27(38)30(41)36-26(33(44)46-3)20-23-12-7-5-8-13-23/h5-10,12-15,22,25-27,29H,4,11,16-21H2,1-3H3,(H,35,42)(H,36,41)(H,37,45)(H,39,40)/t22-,25-,26-,27-,29-/m0/s1
InChIKey
NQFWNRFKRYMGAI-OXHJWIHTSA-N
Computed Properties
Structural Parameters
Heavy atom count
47
Aromatic heavy atom count
12
Fraction Csp3
0.47
Rotatable bonds
16
H-bond acceptors
8
H-bond donors
4
Molar refractivity
170.63
TPSA
180.44
LogP / Solubility
WLOGP
2.57
MLOGP
2.31
XLogP3
3.7
Consensus LogP
2.86
Log S (ESOL)
-4.64
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.77
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.95
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6.5
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