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CAS 1425938-63-1 (4S)-3-(FMoc-Thr(tBu))-2,2-diMethyl-oxazolidine-4-carboxylic acid molecular structure lightbox
CAS RN: 1425938-63-1

(4S)-3-(FMoc-Thr(tBu))-2,2-diMethyl-oxazolidine-4-carboxylic acid

  • Product code: SSC-053364
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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: 0.1g, 0.25g, 1g, 5g, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • 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 1425938-63-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 2 In Stock Shenzhen Inquiry
0.25g >97% 2 In Stock Shanghai Inquiry
1g >97% 2 In Stock Shenzhen Inquiry
5g >97% 2 In Stock Shanghai Inquiry
10g >97% 2 In Stock Shenzhen Inquiry
25g >97% 2 In Stock Beijing Inquiry

1425938-63-1 / (4S)-3-[(2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]butanoyl]-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid

Standard CAS: 1425938-63-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1425938-63-1
Multi CAS
No
Molecular Formula
C29H36N2O7
Molecular Weight
524.600000
Exact Mass
524.252251
SMILES
C[C@H]([C@@H](C(=O)N1[C@@H](COC1(C)C)C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)OC(C)(C)C
InChI
InChI=1S/C29H36N2O7/c1-17(38-28(2,3)4)24(25(32)31-23(26(33)34)16-37-29(31,5)6)30-27(35)36-15-22-20-13-9-7-11-18(20)19-12-8-10-14-21(19)22/h7-14,17,22-24H,15-16H2,1-6H3,(H,30,35)(H,33,34)/t17-,23+,24+/m1/s1
InChIKey
ZWRFHHZZRMZKFK-CQLNOVPUSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
12
Fraction Csp3
0.48
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
2
Molar refractivity
140.59
TPSA
114.4

LogP / Solubility

WLOGP
4.15
MLOGP
3.69
XLogP3
3.9
Consensus LogP
3.91
Log S (ESOL)
-5.48
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.85
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.35
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.98

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6

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