CAS RN: 186046-81-1
Fmoc-PNA-C(Bhoc)-OH
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251231 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250224 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250325 | 10g | In stock | Shanghai | Inquiry | |
| Batchno.20250824 | 1g | In stock | Shanghai, Tianjin, Chengdu | Inquiry | |
| Batchno.20250405 | 250mg | In stock | Shanghai, Shenzhen | Inquiry | |
| Batchno.20260619 | 5g | In stock | Shanghai, Shenzhen | Inquiry |
- Product code: SSC-086202
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: 0.1g, 0.25g, 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.
186046-81-1 / 2-[[2-[4-(benzhydryloxycarbonylamino)-2-oxopyrimidin-1-yl]acetyl]-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]amino]acetic acid
Basic Information
CAS
186046-81-1
Multi CAS
No
Molecular Formula
C39H35N5O8
Molecular Weight
701.700000
Exact Mass
701.248563
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)NC3=NC(=O)N(C=C3)CC(=O)N(CCNC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46)CC(=O)O
InChI
InChI=1S/C39H35N5O8/c45-34(23-44-21-19-33(41-37(44)48)42-39(50)52-36(26-11-3-1-4-12-26)27-13-5-2-6-14-27)43(24-35(46)47)22-20-40-38(49)51-25-32-30-17-9-7-15-28(30)29-16-8-10-18-31(29)32/h1-19,21,32,36H,20,22-25H2,(H,40,49)(H,46,47)(H,41,42,48,50)
InChIKey
YPTOIRLDQISSCH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
52
Aromatic heavy atom count
30
Fraction Csp3
0.18
Rotatable bonds
13
H-bond acceptors
9
H-bond donors
3
Molar refractivity
190.62
TPSA
169.16
LogP / Solubility
WLOGP
5.03
MLOGP
4.49
XLogP3
4.6
Consensus LogP
4.71
Log S (ESOL)
-6.93
Class (ESOL)
Insoluble
Log S (Ali)
-8.95
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.96
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)
-3.43
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5
