CAS RN: 177582-21-7
Fmoc-Cys(MMt)-OH, 98% contains ca. 11% dioxane
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-077637
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: 5g, 1g, 10g, 25g, 100g
- Available purity: >98%
- Inventory rows with stock: 8
- 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 |
|---|---|---|---|---|
| 5g | -- | 4 In Stock | Hong Kong | Inquiry |
| 1g | -- | 2 In Stock | Hong Kong | Inquiry |
| 5g | >98% | 2 In Stock | Beijing | Inquiry |
| 10g | -- | 2 In Stock | Shanghai | Inquiry |
| 25g | >98% | 2 In Stock | Hong Kong | Inquiry |
| 100g | -- | 2 In Stock | Shanghai | Inquiry |
| 100g | >98% | 2 In Stock | Beijing | Inquiry |
| 25g | -- | 1 In Stock | Shenzhen | Inquiry |
| 1g | >98% | 0 Out of Stock | Hong Kong | Inquiry |
| 10g | >98% | 0 Out of Stock | Shanghai | Inquiry |
177582-21-7 / (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(4-methoxyphenyl)-diphenylmethyl]sulfanylpropanoic acid
Basic Information
CAS
177582-21-7
Multi CAS
No
Molecular Formula
C38H33NO5S
Molecular Weight
615.700000
Exact Mass
615.207944
SMILES
COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
InChI
InChI=1S/C38H33NO5S/c1-43-29-22-20-28(21-23-29)38(26-12-4-2-5-13-26,27-14-6-3-7-15-27)45-25-35(36(40)41)39-37(42)44-24-34-32-18-10-8-16-30(32)31-17-9-11-19-33(31)34/h2-23,34-35H,24-25H2,1H3,(H,39,42)(H,40,41)/t35-/m0/s1
InChIKey
LOBUWFUSGOYXQX-DHUJRADRSA-N
Computed Properties
Structural Parameters
Heavy atom count
45
Aromatic heavy atom count
30
Fraction Csp3
0.16
Rotatable bonds
11
H-bond acceptors
5
H-bond donors
2
Molar refractivity
177.85
TPSA
84.86
LogP / Solubility
WLOGP
7.71
MLOGP
6.84
XLogP3
8
Consensus LogP
7.52
Log S (ESOL)
-8.28
Class (ESOL)
Insoluble
Log S (Ali)
-10.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.38
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1
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
6
Safety & Transport
Pictogram(s)
Irritant
Health Hazard
Signal
Warning
GHS Hazard Statements
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]
H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]
Precautionary Statement Codes
P203, P261, P264+P265, P271, P280, P304+P340, P305+P351+P338, P318, P319, P337+P317, P403+P233, P405, and P501
