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CAS 1208226-88-3 (R)-N-FMoc-2-(5′-pentenyl)glycine molecular structure lightbox
CAS RN: 1208226-88-3

(R)-N-FMoc-2-(5′-pentenyl)glycine

  • Product code: SSC-022175
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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: ＞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 1208226-88-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1208226-88-3 / (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)oct-7-enoic acid

(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)oct-7-enoic acid | (R)-N-Fmoc-2-(5'-pentenyl)glycine | MFCD23701992

Standard CAS: 1208226-88-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1208226-88-3
Multi CAS
Yes
Molecular Formula
C23H25NO4
Molecular Weight
379.400000
Exact Mass
379.178358
SMILES
C=CCCCC[C@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C23H25NO4/c1-2-3-4-5-14-21(22(25)26)24-23(27)28-15-20-18-12-8-6-10-16(18)17-11-7-9-13-19(17)20/h2,6-13,20-21H,1,3-5,14-15H2,(H,24,27)(H,25,26)/t21-/m1/s1
InChIKey
UAOCBDJIBBTOBI-OAQYLSRUSA-N
Synonyms
(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)oct-7-enoic acid (R)-N-Fmoc-2-(5'-pentenyl)glycine MFCD23701992 (R)-2-(Fmoc-amino)-7-octenoic acid (R)-N-Fmoc-2-(5-hexenyl)glycine

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
9
H-bond acceptors
3
H-bond donors
2
Molar refractivity
108.29
TPSA
75.63

LogP / Solubility

WLOGP
4.72
MLOGP
4.18
XLogP3
5
Consensus LogP
4.63
Log S (ESOL)
-4.89
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.13
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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