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CAS 906079-91-2 FmocNH-PEG3-CH2CH2NH2 HCl molecular structure lightbox
CAS RN: 906079-91-2

FmocNH-PEG3-CH2CH2NH2 HCl

  • Product code: SSC-203165
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: ＞97%
  • 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 906079-91-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 0 Out of Stock Shanghai Inquiry
0.25g ＞97% 0 Out of Stock Beijing Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

906079-91-2 / 9H-fluoren-9-ylmethyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate;hydrochloride

Standard CAS: 906079-91-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
906079-91-2
Multi CAS
No
Molecular Formula
C23H31CLN2O5
Molecular Weight
451.000000
Exact Mass
450.192150
InChI
InChI=1S/C23H30N2O5.ClH/c24-9-11-27-13-15-29-16-14-28-12-10-25-23(26)30-17-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22;/h1-8,22H,9-17,24H2,(H,25,26);1H
InChIKey
SEZIMCXPIBEZBJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
13
H-bond acceptors
6
H-bond donors
2
Molar refractivity
121.83
TPSA
92.04

LogP / Solubility

WLOGP
2.96
MLOGP
2.63
XLogP3
2.96
Consensus LogP
2.85
Log S (ESOL)
-3.93
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.6
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)
-3.37

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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