CAS RN: 180570-71-2
N-(9-Fluorenylmethyloxycarbonyl)-N’-trityl-D-asparagine
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-081538
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, 100g, 25g, 500g
- Available purity: >97%
- Inventory rows with stock: 6
- 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 | >97% | 5 In Stock | Shenzhen | Inquiry |
| 5g | >97% | 5 In Stock | Shanghai | Inquiry |
| 10g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 100g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 25g | >97% | 4 In Stock | Beijing | Inquiry |
| 500g | >97% | 1 In Stock | Hong Kong | Inquiry |
180570-71-2 / (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-(tritylamino)butanoic acid
Basic Information
CAS
180570-71-2
Multi CAS
No
Molecular Formula
C38H32N2O5
Molecular Weight
596.700000
Exact Mass
596.231122
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(=O)C[C@H](C(=O)O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
InChI
InChI=1S/C38H32N2O5/c41-35(40-38(26-14-4-1-5-15-26,27-16-6-2-7-17-27)28-18-8-3-9-19-28)24-34(36(42)43)39-37(44)45-25-33-31-22-12-10-20-29(31)30-21-11-13-23-32(30)33/h1-23,33-34H,24-25H2,(H,39,44)(H,40,41)(H,42,43)/t34-/m1/s1
InChIKey
KJYAFJQCGPUXJY-UUWRZZSWSA-N
Computed Properties
Structural Parameters
Heavy atom count
45
Aromatic heavy atom count
30
Fraction Csp3
0.13
Rotatable bonds
10
H-bond acceptors
4
H-bond donors
3
Molar refractivity
171.6
TPSA
104.73
LogP / Solubility
WLOGP
6.48
MLOGP
5.75
XLogP3
6.6
Consensus LogP
6.28
Log S (ESOL)
-7.45
Class (ESOL)
Insoluble
Log S (Ali)
-9.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.11
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)
-1.76
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6
Safety & Transport
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.
Customers Also Viewed
-
-
(R)-9-[2-(DIETHYLPHOSPHONOMETHOXY)PROPYL] ADENINE
- CAS RN: 180587-75-1
- Product Code: starshine_CAS180587-75-1
- Purity/Analytical method: >99.0%
-
-
Candesartan Acyl-Glucuronide
- CAS RN: 180603-77-4
- Product Code: starshine_CAS180603-77-4
- Purity/Analytical method: >99.0%
-
-
1H-Pyrrole-2,5-dione, 1-(5-hydroxypentyl)
- CAS RN: 180608-78-0
- Product Code: starshine_CAS180608-78-0
- Purity/Analytical method: >99.0%
![CAS 180587-75-1 (R)-9-[2-(DIETHYLPHOSPHONOMETHOXY)PROPYL] ADENINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB6190088.gif)
