![CAS 187618-60-6 Nα-[(9H-Fluoren-9-ylmethoxy)carbonyl]-Nω-(2,2,4,6,7-pentamethyldihydrobenzofuran-5-sulfonyl)-D-arginine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/f0875-jpgcontextbwfzdgvyfhjvb3r8mze5njn8aw1hz2uvanblz3xontevadzilzg5mza3mdy1odc2nzgvrja4nzuuanbnfdkymmm2mwmyyti4zmu3ogy3oddkmdbjnjdlyjqyzgm0yjixm2vkmtbmnja4nwfhzwnkzjvimjfkmjjmzwy4mza.jpeg)
CAS RN: 187618-60-6
Nα-[(9H-Fluoren-9-ylmethoxy)carbonyl]-Nω-(2,2,4,6,7-pentamethyldihydrobenzofuran-5-sulfonyl)-D-arginine
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock2 grade groups
- Product code: SSC-087204
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, 500g, 1000g
- Available purity: >98%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >98% | 5 In Stock | Hong Kong | Inquiry |
| 5g | >98% | 5 In Stock | Beijing | Inquiry |
| 10g | >98% | 5 In Stock | Beijing | Inquiry |
| 25g | >98% | 5 In Stock | Shenzhen | Inquiry |
| 100g | >98% | 1 In Stock | Shenzhen | Inquiry |
| 500g | >98% | 0 Out of Stock | Hong Kong | Inquiry |
| 1000g | >98% | 0 Out of Stock | Shanghai | Inquiry |
187618-60-6 / (2R)-5-[[amino-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
Basic Information
CAS
187618-60-6
Multi CAS
No
Molecular Formula
C34H40N4O7S
Molecular Weight
648.800000
Exact Mass
648.261771
SMILES
CC1=C(C(=C(C2=C1OC(C2)(C)C)C)S(=O)(=O)NC(=NCCC[C@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)N)C
InChI
InChI=1S/C34H40N4O7S/c1-19-20(2)30(21(3)26-17-34(4,5)45-29(19)26)46(42,43)38-32(35)36-16-10-15-28(31(39)40)37-33(41)44-18-27-24-13-8-6-11-22(24)23-12-7-9-14-25(23)27/h6-9,11-14,27-28H,10,15-18H2,1-5H3,(H,37,41)(H,39,40)(H3,35,36,38)/t28-/m1/s1
InChIKey
HNICLNKVURBTKV-MUUNZHRXSA-N
Computed Properties
Structural Parameters
Heavy atom count
46
Aromatic heavy atom count
18
Fraction Csp3
0.38
Rotatable bonds
10
H-bond acceptors
7
H-bond donors
4
Molar refractivity
174.74
TPSA
169.41
LogP / Solubility
WLOGP
4.69
MLOGP
4.18
XLogP3
5.1
Consensus LogP
4.66
Log S (ESOL)
-6.45
Class (ESOL)
Insoluble
Log S (Ali)
-8.27
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.97
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)
-3.35
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
5.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (40%): Causes skin irritation [Warning Skin corrosion/irritation]
H317 (20%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H319 (40%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (40%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
H413 (20%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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![CAS 873842-06-9 (R)-3-[(9H-Fluoren-9-ylmethoxy)carbonyl]-2,2-dimethylthiazolidine-4-carboxylic Acid molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/f1220-jpgcontextbwfzdgvyfhjvb3r8mzg5otl8aw1hz2uvanblz3xozjavagqzlzg5mza3mjm3ntgxmtavrjeymjauanbnfgriyzmxytk4yjm1nzkwnjljndcxmtzmndriywe5n2e5y2e5nde4mjk5mgqzowe1yze0yzazmziynjeyyzg4yzy.jpeg)