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CAS 104091-11-4 FMOC-D-GLU(OBZL)-OH molecular structure lightbox
CAS RN: 104091-11-4

FMOC-D-GLU(OBZL)-OH

  • Product code: SSC-005860
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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: 25g
  • 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 104091-11-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Hong Kong Inquiry

104091-11-4 / (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxo-5-phenylmethoxypentanoic acid

(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxo-5-phenylmethoxypentanoic acid | 2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-5-(benzyloxy)-5-oxopentanoic acid | Fmoc-L-glutamic acid 5-benzyl ester

Standard CAS: 104091-11-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
104091-11-4
Multi CAS
Yes
Molecular Formula
C27H25NO6
Molecular Weight
459.500000
Exact Mass
459.168188
SMILES
C1=CC=C(C=C1)COC(=O)CC[C@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C27H25NO6/c29-25(33-16-18-8-2-1-3-9-18)15-14-24(26(30)31)28-27(32)34-17-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,23-24H,14-17H2,(H,28,32)(H,30,31)/t24-/m1/s1
InChIKey
HJJURMMMGPQIQP-XMMPIXPASA-N
Synonyms
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxo-5-phenylmethoxypentanoic acid 2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-5-(benzyloxy)-5-oxopentanoic acid Fmoc-L-glutamic acid 5-benzyl ester SCHEMBL178813 Fmoc-L-glutamic acid g-benzyl ester

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
18
Fraction Csp3
0.22
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
2
Molar refractivity
125.1
TPSA
101.93

LogP / Solubility

WLOGP
4.5
MLOGP
3.99
XLogP3
4.4
Consensus LogP
4.3
Log S (ESOL)
-5.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.58
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.46
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)
-2.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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