CAS RN: 84000-03-3
9H-Fluoren-9-ylmethyl(4S)-4-benzyl-5-oxo-1,3-oxazolidine-3-carboxylate
- Product code: SSC-191642
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 |
84000-03-3 / 9H-fluoren-9-ylmethyl (4S)-4-benzyl-5-oxo-1,3-oxazolidine-3-carboxylate
Basic Information
CAS
84000-03-3
Multi CAS
Yes
Molecular Formula
C25H21NO4
Molecular Weight
399.400000
Exact Mass
399.147058
InChI
InChI=1S/C25H21NO4/c27-24-23(14-17-8-2-1-3-9-17)26(16-30-24)25(28)29-15-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-13,22-23H,14-16H2/t23-/m0/s1
InChIKey
SYGUTGFRFSAHNN-QHCPKHFHSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
111.8
TPSA
55.84
LogP / Solubility
WLOGP
4.36
MLOGP
3.86
XLogP3
5
Consensus LogP
4.41
Log S (ESOL)
-5.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.99
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.36
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)
-2.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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