Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
201852-70-2 / (2S)-2-[(2-aminoacetyl)amino]-N-(4-methyl-2-oxochromen-7-yl)-3-phenylpropanamide
Basic Information
CAS
201852-70-2
Multi CAS
No
Molecular Formula
C21H21N3O4
Molecular Weight
379.400000
Exact Mass
379.153206
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CN
InChI
InChI=1S/C21H21N3O4/c1-13-9-20(26)28-18-11-15(7-8-16(13)18)23-21(27)17(24-19(25)12-22)10-14-5-3-2-4-6-14/h2-9,11,17H,10,12,22H2,1H3,(H,23,27)(H,24,25)/t17-/m0/s1
InChIKey
OXYDLMUFQZNZMD-KRWDZBQOSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
16
Fraction Csp3
0.19
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
3
Molar refractivity
106.98
TPSA
114.43
LogP / Solubility
WLOGP
1.73
MLOGP
1.54
XLogP3
1.4
Consensus LogP
1.56
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.92
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.28
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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![CAS 201870-82-8 (Acetato-κO)[[2,2′-[(1R,2R)-1,2-cyclohexanediylbis[(nitrilo-κN)Methylidyne]]bis[4,6-bis(1,1-diMethylethyl)phenolato-κO]](2-)]cobalt molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/201870-82-8.gif)
