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CAS 1095952-22-9 Fmoc-Gly-Ser[PSI(Me,Me)Pro]-OH molecular structure lightbox
CAS RN: 1095952-22-9

Fmoc-Gly-Ser[PSI(Me,Me)Pro]-OH

  • Product code: SSC-010969
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 0.25g, 25g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1095952-22-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Shanghai Inquiry
5g >95% 4 In Stock Shenzhen Inquiry
10g >95% 3 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
25g >95% 1 In Stock Beijing Inquiry

1095952-22-9 / (4S)-3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid

Fmoc-Gly-Ser(Psi(Me,Me)Pro)-OH | Fmoc-Gly-Ser(Psime,Mepro)-OH | MFCD18427718

Standard CAS: 1095952-22-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1095952-22-9
Multi CAS
Yes
Molecular Formula
C23H24N2O6
Molecular Weight
424.400000
Exact Mass
424.163436
SMILES
CC1(N([C@@H](CO1)C(=O)O)C(=O)CNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C
InChI
InChI=1S/C23H24N2O6/c1-23(2)25(19(13-31-23)21(27)28)20(26)11-24-22(29)30-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,18-19H,11-13H2,1-2H3,(H,24,29)(H,27,28)/t19-/m0/s1
InChIKey
XUBXHZJERGBCEL-IBGZPJMESA-N
Synonyms
Fmoc-Gly-Ser(Psi(Me,Me)Pro)-OH Fmoc-Gly-Ser(Psime,Mepro)-OH MFCD18427718 FMOC-GLU(OTBU)-THR(PSI-ME,MEPRO)-OH (4S)-3-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)acetyl]-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
111.37
TPSA
105.17

LogP / Solubility

WLOGP
2.57
MLOGP
2.29
XLogP3
2.6
Consensus LogP
2.49
Log S (ESOL)
-4.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.9
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.15
Class (SILICOS-IT)
Slightly soluble

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)
-3.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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