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CAS 1191064-81-9 FMoc-NH-PEG9-CH2CH2COOH molecular structure lightbox
CAS RN: 1191064-81-9

FMoc-NH-PEG9-CH2CH2COOH

Product Availability

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8 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260129 100mg In stock Shanghai, Shandong Inquiry
Batchno.20250528 1g Out of stock 15 business days Inquiry
Batchno.20250804 250mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260213 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250401 10g In stock Shanghai Inquiry
Batchno.20250317 1g In stock Shanghai Inquiry
Batchno.20250206 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260331 5g In stock Shanghai Inquiry
  • Product code: SSC-019596
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1191064-81-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1191064-81-9 / 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid

Fmoc-N-amido-PEG9-acid | Fmoc-NH-PEG9-CH2CH2COOH | 1-(9H-Fluoren-9-yl)-3-oxo-2,7,10,13,16,19,22,25,28,31-decaoxa-4-azatetratriacontan-34-oic acid

Standard CAS: 1191064-81-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1191064-81-9
Multi CAS
No
Molecular Formula
C36H53NO13
Molecular Weight
707.800000
Exact Mass
707.351691
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O
InChI
InChI=1S/C36H53NO13/c38-35(39)9-11-41-13-15-43-17-19-45-21-23-47-25-27-49-28-26-48-24-22-46-20-18-44-16-14-42-12-10-37-36(40)50-29-34-32-7-3-1-5-30(32)31-6-2-4-8-33(31)34/h1-8,34H,9-29H2,(H,37,40)(H,38,39)
InChIKey
NEESTRVILHNOJT-UHFFFAOYSA-N
Synonyms
Fmoc-N-amido-PEG9-acid Fmoc-NH-PEG9-CH2CH2COOH 1-(9H-Fluoren-9-yl)-3-oxo-2,7,10,13,16,19,22,25,28,31-decaoxa-4-azatetratriacontan-34-oic acid MFCD28385470 Fmoc-NH-(PEG)9-CH2CH2COOH

Computed Properties

Structural Parameters

Heavy atom count
50
Aromatic heavy atom count
12
Fraction Csp3
0.61
Rotatable bonds
32
H-bond acceptors
12
H-bond donors
2
Molar refractivity
182.7
TPSA
158.7

LogP / Solubility

WLOGP
3.15
MLOGP
2.83
XLogP3
1.2
Consensus LogP
2.39
Log S (ESOL)
-4.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.71
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.8

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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