![CAS 2044702-38-5 (9H-Fluoren-9-yl)MethOxy]Carbonyl N-Me-L-Daba(Boc)-OH molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2044702-38-5.png)
CAS RN: 2044702-38-5
(9H-Fluoren-9-yl)MethOxy]Carbonyl N-Me-L-Daba(Boc)-OH
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.20260331 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-096197
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 | Beijing | Inquiry |
2044702-38-5 / (2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Basic Information
CAS
2044702-38-5
Multi CAS
No
Molecular Formula
C25H30N2O6
Molecular Weight
454.500000
Exact Mass
454.210387
SMILES
CC(C)(C)OC(=O)NCC[C@@H](C(=O)O)N(C)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C25H30N2O6/c1-25(2,3)33-23(30)26-14-13-21(22(28)29)27(4)24(31)32-15-20-18-11-7-5-9-16(18)17-10-6-8-12-19(17)20/h5-12,20-21H,13-15H2,1-4H3,(H,26,30)(H,28,29)/t21-/m0/s1
InChIKey
XWVWNUSHPLVJFI-NRFANRHFSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
2
Molar refractivity
123.11
TPSA
105.17
LogP / Solubility
WLOGP
4.24
MLOGP
3.76
XLogP3
3.9
Consensus LogP
3.97
Log S (ESOL)
-5.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.34
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.97
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)
-2.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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