CAS 139551-74-9 FMOC-T-BUTYL-L-ALANINE molecular structure

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CAS RN: 139551-74-9

FMOC-T-BUTYL-L-ALANINE

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1 package records1 with current stock1 grade group

Grade In stock only

Batch No.	Package	Availability	Warehouse	Inquiry
Batchno.20260313	250mg / 1g	Confirm by inquiry	Shanghai, Shandong	Inquiry

Product code: SSC-050180

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Verified Factory Data

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Pack sizes on record: 1g, 5g, 10g, 25g, 0.1g, 0.25g, 100g
Available purity: >97%
Inventory rows with stock: 6
Bulk packaging: confirmed by inquiry

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Recorded sizes, purity and stock details for CAS 139551-74-9
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	>97%	5 In Stock	Shenzhen	Inquiry
5g	>97%	5 In Stock	Shanghai	Inquiry
10g	>97%	5 In Stock	Shenzhen	Inquiry
25g	>97%	5 In Stock	Beijing	Inquiry
0.1g	>97%	2 In Stock	Shenzhen	Inquiry
0.25g	>97%	2 In Stock	Shenzhen	Inquiry
100g	>97%	0 Out of Stock	Shanghai	Inquiry

139551-74-9 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4-dimethylpentanoic acid

Standard CAS: 139551-74-9 Multi CAS: No

Basic Information Computed Properties Safety & Transport

Basic Information

CAS

139551-74-9

Multi CAS

Molecular Formula

C22H25NO4

Molecular Weight

367.400000

Exact Mass

367.178358

SMILES

CC(C)(C)C[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

InChI

InChI=1S/C22H25NO4/c1-22(2,3)12-19(20(24)25)23-21(26)27-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,23,26)(H,24,25)/t19-/m0/s1

InChIKey

RPLVCXKSSXJFDS-IBGZPJMESA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.36

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

103.7

TPSA

75.63

LogP / Solubility

WLOGP

4.41

MLOGP

3.9

XLogP3

4.8

Consensus LogP

4.37

Log S (ESOL)

-4.9

Class (ESOL)

Slightly soluble

Log S (Ali)

-5.76

Class (Ali)

Slightly soluble

Log S (SILICOS-IT)

-6.31

Class (SILICOS-IT)

Insoluble

ADME

GI absorption

High

BBB permeant

P-gp substrate

CYP1A2 inhibitor

Yes

CYP2C19 inhibitor

Yes

CYP2C9 inhibitor

Yes

CYP2D6 inhibitor

Yes

CYP3A4 inhibitor

Yes

Log Kp (skin permeation)

-1.83

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Yes

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

Safety & Transport

Pictogram(s)

Irritant

Signal

Warning

GHS Hazard Statements

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Precautionary Statement Codes

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501