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CAS 84053-14-5 4-(AMINOSULFONYL)-N-BOC-L-PHENYLALANINE molecular structure lightbox
CAS RN: 84053-14-5

4-(AMINOSULFONYL)-N-BOC-L-PHENYLALANINE

  • Product code: SSC-191674
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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: 0.05g, 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 84053-14-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g >95% 1 In Stock Hong Kong Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g >95% 1 In Stock Shanghai Inquiry

84053-14-5 / (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-sulfamoylphenyl)propanoic acid

Standard CAS: 84053-14-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
84053-14-5
Multi CAS
No
Molecular Formula
C14H20N2O6S
Molecular Weight
344.390000
Exact Mass
344.104208
InChI
InChI=1S/C14H20N2O6S/c1-14(2,3)22-13(19)16-11(12(17)18)8-9-4-6-10(7-5-9)23(15,20)21/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)(H2,15,20,21)/t11-/m0/s1
InChIKey
COMNQBHSVKJFIQ-NSHDSACASA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
3
Molar refractivity
82.31
TPSA
135.79

LogP / Solubility

WLOGP
0.85
MLOGP
0.77
XLogP3
0.4
Consensus LogP
0.67
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.21
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
Low
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)
-4.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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