![CAS 1821775-88-5 (2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(6-methoxypyridin-3-yl)propanoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1821775-88-5.gif)
CAS RN: 1821775-88-5
(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(6-methoxypyridin-3-yl)propanoic acid
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.20260311 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-083143
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 | Shanghai | Inquiry |
1821775-88-5 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(6-methoxy-3-pyridinyl)propanoic acid
Basic Information
CAS
1821775-88-5
Multi CAS
No
Molecular Formula
C24H22N2O5
Molecular Weight
418.400000
Exact Mass
418.152872
SMILES
COC1=NC=C(C=C1)C[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C24H22N2O5/c1-30-22-11-10-15(13-25-22)12-21(23(27)28)26-24(29)31-14-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-11,13,20-21H,12,14H2,1H3,(H,26,29)(H,27,28)/t21-/m0/s1
InChIKey
GKAFXBQOQLCXDC-NRFANRHFSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
18
Fraction Csp3
0.21
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
2
Molar refractivity
114.12
TPSA
97.75
LogP / Solubility
WLOGP
3.62
MLOGP
3.22
XLogP3
3.9
Consensus LogP
3.58
Log S (ESOL)
-4.69
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.23
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.7
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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