CAS RN: 1884577-99-4
Boc-Val-Ala-PAB
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260130 | 100mg / 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-087698
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: 0.1g, 0.25g, 5g, 1g
- Available purity: >95%
- Inventory rows with stock: 4
- 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.
1884577-99-4 / tert-butyl N-[(2S)-1-[[(2S)-1-[4-(hydroxymethyl)anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
Basic Information
CAS
1884577-99-4
Multi CAS
No
Molecular Formula
C20H31N3O5
Molecular Weight
393.500000
Exact Mass
393.226371
SMILES
C[C@@H](C(=O)NC1=CC=C(C=C1)CO)NC(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C
InChI
InChI=1S/C20H31N3O5/c1-12(2)16(23-19(27)28-20(4,5)6)18(26)21-13(3)17(25)22-15-9-7-14(11-24)8-10-15/h7-10,12-13,16,24H,11H2,1-6H3,(H,21,26)(H,22,25)(H,23,27)/t13-,16-/m0/s1
InChIKey
AWZITSKTOAURSJ-BBRMVZONSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
4
Molar refractivity
106.59
TPSA
116.76
LogP / Solubility
WLOGP
2.17
MLOGP
1.93
XLogP3
2.1
Consensus LogP
2.07
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.86
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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