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 |
2349638-26-0 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-propoxybutanoic acid
Basic Information
CAS
2349638-26-0
Multi CAS
No
Molecular Formula
C22H25NO5
Molecular Weight
383.400000
Exact Mass
383.173273
SMILES
CCCOCC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C22H25NO5/c1-2-12-27-13-11-20(21(24)25)23-22(26)28-14-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,19-20H,2,11-14H2,1H3,(H,23,26)(H,24,25)/t20-/m0/s1
InChIKey
WIRHAGZFMZVARS-FQEVSTJZSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.36
Rotatable bonds
9
H-bond acceptors
4
H-bond donors
2
Molar refractivity
105.36
TPSA
84.86
LogP / Solubility
WLOGP
3.8
MLOGP
3.36
XLogP3
3.8
Consensus LogP
3.65
Log S (ESOL)
-4.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.38
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)
-2.36
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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