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CAS 2135655-88-6 Z-N-Me-Arg(pbf)-OH molecular structure lightbox
CAS RN: 2135655-88-6

Z-N-Me-Arg(pbf)-OH

  • Product code: SSC-101972
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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
  • Available purity: >97%
  • Inventory rows with stock: 3
  • 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 2135655-88-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Shenzhen Inquiry
0.25g >97% 5 In Stock Shanghai Inquiry
1g >97% 5 In Stock Shanghai Inquiry

2135655-88-6 / (2S)-5-[[amino-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]amino]-2-[methyl(phenylmethoxycarbonyl)amino]pentanoic acid

Standard CAS: 2135655-88-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2135655-88-6
Multi CAS
No
Molecular Formula
C28H38N4O7S
Molecular Weight
574.700000
Exact Mass
574.246121
SMILES
CC1=C(C(=C(C2=C1OC(C2)(C)C)C)S(=O)(=O)NC(=NCCC[C@@H](C(=O)O)N(C)C(=O)OCC3=CC=CC=C3)N)C
InChI
InChI=1S/C28H38N4O7S/c1-17-18(2)24(19(3)21-15-28(4,5)39-23(17)21)40(36,37)31-26(29)30-14-10-13-22(25(33)34)32(6)27(35)38-16-20-11-8-7-9-12-20/h7-9,11-12,22H,10,13-16H2,1-6H3,(H,33,34)(H3,29,30,31)/t22-/m0/s1
InChIKey
GFORNBMHIWWRNW-QFIPXVFZSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
12
Fraction Csp3
0.46
Rotatable bonds
10
H-bond acceptors
7
H-bond donors
3
Molar refractivity
150.92
TPSA
160.62

LogP / Solubility

WLOGP
3.42
MLOGP
3.05
XLogP3
3.7
Consensus LogP
3.39
Log S (ESOL)
-5.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.74
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.43
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.8

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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