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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
153815-59-9 / tert-butyl (4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-hydroxypentanoate
Basic Information
CAS
153815-59-9
Multi CAS
No
Molecular Formula
C24H29NO5
Molecular Weight
411.500000
Exact Mass
411.204573
SMILES
CC(C)(C)OC(=O)CC[C@@H](CO)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C24H29NO5/c1-24(2,3)30-22(27)13-12-16(14-26)25-23(28)29-15-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,16,21,26H,12-15H2,1-3H3,(H,25,28)/t16-/m0/s1
InChIKey
XYRSVJWUWKIUAA-INIZCTEOSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.42
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
2
Molar refractivity
114.16
TPSA
84.86
LogP / Solubility
WLOGP
4.01
MLOGP
3.55
XLogP3
3.6
Consensus LogP
3.72
Log S (ESOL)
-4.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.5
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)
-2.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
