CAS RN: 26001-32-1
H-ILE-PRO-PRO-OH
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251219 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS26001-32-1
- Purity/Analytical Methods: >99.0%
26001-32-1 / (2S)-1-[(2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
Basic Information
CAS
26001-32-1
Multi CAS
No
Molecular Formula
C16H27N3O4
Molecular Weight
325.400000
Exact Mass
325.200156
SMILES
CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)O)N
InChI
InChI=1S/C16H27N3O4/c1-3-10(2)13(17)15(21)18-8-4-6-11(18)14(20)19-9-5-7-12(19)16(22)23/h10-13H,3-9,17H2,1-2H3,(H,22,23)/t10-,11-,12-,13-/m0/s1
InChIKey
FQYQMFCIJNWDQZ-CYDGBPFRSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Fraction Csp3
0.81
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
84.54
TPSA
103.94
LogP / Solubility
WLOGP
0.43
MLOGP
0.39
XLogP3
-1.7
Consensus LogP
-0.29
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4.5
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