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CAS 1159680-21-3 L-Lysine, N6-[[[(2,3-dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino]iminomethyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]- molecular structure lightbox
CAS RN: 1159680-21-3

L-Lysine, N6-[[[(2,3-dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino]iminomethyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260123 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250414 250mg / 1g / 5g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-015823
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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: 0.25g, 1g, 5g, 25g, 10g, 100g
  • 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 1159680-21-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 5 In Stock Shenzhen Inquiry
1g >97% 5 In Stock Hong Kong Inquiry
5g >97% 5 In Stock Beijing Inquiry
25g >97% 5 In Stock Shanghai Inquiry
10g >97% 4 In Stock Hong Kong Inquiry
100g >97% 4 In Stock Hong Kong Inquiry

1159680-21-3 / (2S)-6-[[amino-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid

N-alpha-Fmoc-N-omega-(2,2,4,6,7-pentamethyl-2,3-dihydrobenzo[b]furan-5-ylsulfonyl)-L-beta-homoarginine | N-alpha-Fmoc-N-omega-(2,2,4,6,7-pentamethyl-2,3-dihydrobenzo(b)furan-5-ylsulfonyl)-L-beta-homoarginine | RefChem:829010

Standard CAS: 1159680-21-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1159680-21-3
Multi CAS
Yes
Molecular Formula
C35H42N4O7S
Molecular Weight
662.800000
Exact Mass
662.277421
SMILES
CC1=C(C(=C(C2=C1OC(C2)(C)C)C)S(=O)(=O)NC(=NCCCC[C@@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)N)C
InChI
InChI=1S/C35H42N4O7S/c1-20-21(2)31(22(3)27-18-35(4,5)46-30(20)27)47(43,44)39-33(36)37-17-11-10-16-29(32(40)41)38-34(42)45-19-28-25-14-8-6-12-23(25)24-13-7-9-15-26(24)28/h6-9,12-15,28-29H,10-11,16-19H2,1-5H3,(H,38,42)(H,40,41)(H3,36,37,39)/t29-/m0/s1
InChIKey
DOGZBRBJANHMLA-LJAQVGFWSA-N
Synonyms
N-alpha-Fmoc-N-omega-(2,2,4,6,7-pentamethyl-2,3-dihydrobenzo[b]furan-5-ylsulfonyl)-L-beta-homoarginine N-alpha-Fmoc-N-omega-(2,2,4,6,7-pentamethyl-2,3-dihydrobenzo(b)furan-5-ylsulfonyl)-L-beta-homoarginine RefChem:829010 970-604-5 Fmoc-|A-HoArg(Pbf)-OH

Computed Properties

Structural Parameters

Heavy atom count
47
Aromatic heavy atom count
18
Fraction Csp3
0.4
Rotatable bonds
11
H-bond acceptors
7
H-bond donors
4
Molar refractivity
179.35
TPSA
169.41

LogP / Solubility

WLOGP
5.08
MLOGP
4.53
XLogP3
5.5
Consensus LogP
5.04
Log S (ESOL)
-6.71
Class (ESOL)
Insoluble
Log S (Ali)
-8.66
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.51
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)
-3.16

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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