CAS RN: 1416444-92-2
(2S)-2-((((9H-Fluoren-9-yl)Methoxy)carbonyl)aMino)-2-(4-hydroxycyclohexyl)acetic 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.20250702 | 250mg | Out of stock | 30 business days | Inquiry |
- Product code: SSC-052145
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 |
1416444-92-2 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(4-hydroxycyclohexyl)acetic acid
Basic Information
CAS
1416444-92-2
Multi CAS
No
Molecular Formula
C23H25NO5
Molecular Weight
395.400000
Exact Mass
395.173273
SMILES
C1CC(CCC1[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)O
InChI
InChI=1S/C23H25NO5/c25-15-11-9-14(10-12-15)21(22(26)27)24-23(28)29-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,14-15,20-21,25H,9-13H2,(H,24,28)(H,26,27)/t14?,15?,21-/m0/s1
InChIKey
LDKHGFYFIBBLAC-XFMWISLNSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.39
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
3
Molar refractivity
107.59
TPSA
95.86
LogP / Solubility
WLOGP
3.53
MLOGP
3.13
XLogP3
3.5
Consensus LogP
3.39
Log S (ESOL)
-4.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.76
Class (SILICOS-IT)
Slightly soluble
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)
-2.63
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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