amino}-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)hexanoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2044709-77-3.png)
CAS RN: 2044709-77-3
(2R)-6-{[(tert-butoxy)carbonyl](methyl)amino}-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)hexanoic 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.20250404 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-096257
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
2044709-77-3 / (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoic acid
Basic Information
CAS
2044709-77-3
Multi CAS
No
Molecular Formula
C27H34N2O6
Molecular Weight
482.600000
Exact Mass
482.241687
SMILES
CC(C)(C)OC(=O)N(C)CCCC[C@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C27H34N2O6/c1-27(2,3)35-26(33)29(4)16-10-9-15-23(24(30)31)28-25(32)34-17-22-20-13-7-5-11-18(20)19-12-6-8-14-21(19)22/h5-8,11-14,22-23H,9-10,15-17H2,1-4H3,(H,28,32)(H,30,31)/t23-/m1/s1
InChIKey
JHMSFOFHTAYQLS-HSZRJFAPSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
12
Fraction Csp3
0.44
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
2
Molar refractivity
132.34
TPSA
105.17
LogP / Solubility
WLOGP
5.02
MLOGP
4.45
XLogP3
4.6
Consensus LogP
4.69
Log S (ESOL)
-5.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.14
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.04
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)
-2.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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