![CAS 831210-89-0 Benzenebutanoic acid, 2-amino-α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-γ-oxo-, (αS)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/831210-89-0.gif)
CAS RN: 831210-89-0
Benzenebutanoic acid, 2-amino-α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-γ-oxo-, (αS)-
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.20250523 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-191063
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | >95% | 0 Out of Stock | Shenzhen | Inquiry |
831210-89-0 / (2S)-4-(2-aminophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoic acid
Basic Information
CAS
831210-89-0
Multi CAS
Yes
Molecular Formula
C25H22N2O5
Molecular Weight
430.500000
Exact Mass
430.152872
InChI
InChI=1S/C25H22N2O5/c26-21-12-6-5-11-19(21)23(28)13-22(24(29)30)27-25(31)32-14-20-17-9-3-1-7-15(17)16-8-2-4-10-18(16)20/h1-12,20,22H,13-14,26H2,(H,27,31)(H,29,30)/t22-/m0/s1
InChIKey
GKNQSJVSXLYNBV-QFIPXVFZSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
18
Fraction Csp3
0.16
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
3
Molar refractivity
119.43
TPSA
118.72
LogP / Solubility
WLOGP
3.83
MLOGP
3.4
XLogP3
3.9
Consensus LogP
3.71
Log S (ESOL)
-4.88
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.48
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.62
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
3.5
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