![CAS 1310680-41-1 (2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3,3-dimethylpent-4-enoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1310680-41-1.gif)
CAS RN: 1310680-41-1
(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3,3-dimethylpent-4-enoic 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.20260512 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-037738
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 |
1310680-41-1 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylpent-4-enoic acid
Basic Information
CAS
1310680-41-1
Multi CAS
No
Molecular Formula
C22H23NO4
Molecular Weight
365.400000
Exact Mass
365.162708
SMILES
CC(C)(C=C)[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C22H23NO4/c1-4-22(2,3)19(20(24)25)23-21(26)27-13-18-16-11-7-5-9-14(16)15-10-6-8-12-17(15)18/h4-12,18-19H,1,13H2,2-3H3,(H,23,26)(H,24,25)/t19-/m1/s1
InChIKey
KSFBTMRFQUMTJS-LJQANCHMSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.27
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
103.61
TPSA
75.63
LogP / Solubility
WLOGP
4.19
MLOGP
3.71
XLogP3
4.7
Consensus LogP
4.2
Log S (ESOL)
-4.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.58
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
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.97
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
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