CAS RN: 1147996-34-6
FMOC-ILE-SER(PSIME,MEPRO)-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.20250911 | 1g / 5g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-014522
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g
- Available purity: >97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
1147996-34-6 / (4S)-3-[(2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid
Fmoc-Ile-Ser(Psi(Me,Me)pro)-OH | Fmoc-Ile-Ser(Psime,Mepro)-OH | Fmoc-Ile-Ser[Psi(Me,Me)Pro]-OH
Basic Information
CAS
1147996-34-6
Multi CAS
Yes
Molecular Formula
C27H32N2O6
Molecular Weight
480.600000
Exact Mass
480.226037
SMILES
CC[C@H](C)[C@@H](C(=O)N1[C@@H](COC1(C)C)C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C27H32N2O6/c1-5-16(2)23(24(30)29-22(25(31)32)15-35-27(29,3)4)28-26(33)34-14-21-19-12-8-6-10-17(19)18-11-7-9-13-20(18)21/h6-13,16,21-23H,5,14-15H2,1-4H3,(H,28,33)(H,31,32)/t16-,22-,23-/m0/s1
InChIKey
KTHJSWOIIDYVSO-GMWOSMDTSA-N
Synonyms
Fmoc-Ile-Ser(Psi(Me,Me)pro)-OH
Fmoc-Ile-Ser(Psime,Mepro)-OH
Fmoc-Ile-Ser[Psi(Me,Me)Pro]-OH
MFCD11974984
Fmoc-Ile-Ser(psi(Me, Me)Pro)-OH
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
12
Fraction Csp3
0.44
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
2
Molar refractivity
129.75
TPSA
105.17
LogP / Solubility
WLOGP
3.99
MLOGP
3.54
XLogP3
4.3
Consensus LogP
3.94
Log S (ESOL)
-5.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.38
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.93
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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