CAS RN: 185031-81-6
FMOC-GLN(XAN)-OH
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.20251119 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-085588
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 |
185031-81-6 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxo-5-(9H-xanthen-9-ylamino)pentanoic acid
Basic Information
CAS
185031-81-6
Multi CAS
No
Molecular Formula
C33H28N2O6
Molecular Weight
548.600000
Exact Mass
548.194737
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CCC(=O)NC4C5=CC=CC=C5OC6=CC=CC=C46)C(=O)O
InChI
InChI=1S/C33H28N2O6/c36-30(35-31-24-13-5-7-15-28(24)41-29-16-8-6-14-25(29)31)18-17-27(32(37)38)34-33(39)40-19-26-22-11-3-1-9-20(22)21-10-2-4-12-23(21)26/h1-16,26-27,31H,17-19H2,(H,34,39)(H,35,36)(H,37,38)/t27-/m0/s1
InChIKey
DQGRFJKGDGJKFV-MHZLTWQESA-N
Computed Properties
Structural Parameters
Heavy atom count
41
Aromatic heavy atom count
24
Fraction Csp3
0.18
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
3
Molar refractivity
151.81
TPSA
113.96
LogP / Solubility
WLOGP
5.77
MLOGP
5.12
XLogP3
5.1
Consensus LogP
5.33
Log S (ESOL)
-6.78
Class (ESOL)
Insoluble
Log S (Ali)
-8.22
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.97
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.97
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
6
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