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 |
116857-07-9 / 9H-fluoren-9-ylmethyl N-[(3S)-2-oxooxolan-3-yl]carbamate
Fmoc-Homoserine lactone | 9H-fluoren-9-ylmethyl N-[(3S)-2-oxooxolan-3-yl]carbamate | MFCD04112472
Basic Information
CAS
116857-07-9
Multi CAS
Yes
Molecular Formula
C19H17NO4
Molecular Weight
323.300000
Exact Mass
323.115758
SMILES
C1COC(=O)[C@H]1NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C19H17NO4/c21-18-17(9-10-23-18)20-19(22)24-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16-17H,9-11H2,(H,20,22)/t17-/m0/s1
InChIKey
VVPJFGZZHSVGJF-KRWDZBQOSA-N
Synonyms
Fmoc-Homoserine lactone
9H-fluoren-9-ylmethyl N-[(3S)-2-oxooxolan-3-yl]carbamate
MFCD04112472
Fmoc-L-homoserine lactone
9H-Fluoren-9-ylmethyl N-[(3S)-tetrahydro-2-oxo-3-furanyl]carbamate
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.26
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
87.57
TPSA
64.63
LogP / Solubility
WLOGP
2.84
MLOGP
2.51
XLogP3
3.1
Consensus LogP
2.82
Log S (ESOL)
-3.81
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.48
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
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