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CAS 159858-21-6 L-Ornithine, N5-(aMinocarbonyl)-N2-[N-[(9H-fluoren-9-ylMethoxy)carbonyl]-L-valyl]- molecular structure lightbox
CAS RN: 159858-21-6

L-Ornithine, N5-(aMinocarbonyl)-N2-[N-[(9H-fluoren-9-ylMethoxy)carbonyl]-L-valyl]-

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12 package records12 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250903 1g In stock Inquiry
Batchno.20251107 200mg In stock Inquiry
Batchno.20250211 250mg In stock Inquiry
Batchno.20251115 25g In stock Inquiry
Batchno.20250316 50mg In stock Inquiry
Batchno.20250703 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250706 100g In stock Shanghai Inquiry
Batchno.20250425 1g In stock Shanghai, Tianjin Inquiry
Batchno.20260414 1g / 5g / 10g / 25g / 100g Confirm by inquiry Shanghai Inquiry
Batchno.20250301 250mg In stock Shanghai, Wuhan Inquiry
Batchno.20260112 25g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20251118 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-067841
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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: 1g, 5g, 10g, 25g, 100g
  • 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 159858-21-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Beijing Inquiry
5g >97% 5 In Stock Hong Kong Inquiry
10g >97% 4 In Stock Beijing Inquiry
25g >97% 0 Out of Stock Shenzhen Inquiry
100g >97% 0 Out of Stock Shanghai Inquiry

159858-21-6 / (2S)-5-(carbamoylamino)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]pentanoic acid

Standard CAS: 159858-21-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
159858-21-6
Multi CAS
No
Molecular Formula
C26H32N4O6
Molecular Weight
496.600000
Exact Mass
496.232185
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=O)N)C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C26H32N4O6/c1-15(2)22(23(31)29-21(24(32)33)12-7-13-28-25(27)34)30-26(35)36-14-20-18-10-5-3-8-16(18)17-9-4-6-11-19(17)20/h3-6,8-11,15,20-22H,7,12-14H2,1-2H3,(H,29,31)(H,30,35)(H,32,33)(H3,27,28,34)/t21-,22-/m0/s1
InChIKey
ZJLNQOIFTYLCHC-VXKWHMMOSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
11
H-bond acceptors
5
H-bond donors
5
Molar refractivity
133.22
TPSA
159.85

LogP / Solubility

WLOGP
2.57
MLOGP
2.3
XLogP3
2.9
Consensus LogP
2.59
Log S (ESOL)
-4.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.34
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.93

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
5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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