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CAS 1008512-23-9 Fmoc-L-Lys(Boc2-Aoa)-OH molecular structure lightbox
CAS RN: 1008512-23-9

Fmoc-L-Lys(Boc2-Aoa)-OH

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Batchno.20260526 100mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1008512-23-9
  • Purity/Analytical Methods: >99.0%
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1008512-23-9 / (2S)-6-[[2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]oxyacetyl]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid

fmoc-l-lys(boc2-aoa)-oh | Nalpha-Fmoc-Nepsilon-bis(Boc-aminooxy)acetamido-L-Lysine | (S)-14-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-5-(tert-butoxycarbonyl)-2,2-dimethyl-4,8-dioxo-3,6-dioxa-5,9-diazapentadecan-15-oic acid

Standard CAS: 1008512-23-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1008512-23-9
Multi CAS
Yes
Molecular Formula
C33H43N3O10
Molecular Weight
641.700000
Exact Mass
641.294845
SMILES
CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)OCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C33H43N3O10/c1-32(2,3)45-30(41)36(31(42)46-33(4,5)6)44-20-27(37)34-18-12-11-17-26(28(38)39)35-29(40)43-19-25-23-15-9-7-13-21(23)22-14-8-10-16-24(22)25/h7-10,13-16,25-26H,11-12,17-20H2,1-6H3,(H,34,37)(H,35,40)(H,38,39)/t26-/m0/s1
InChIKey
ALGUUBFSURDOAV-SANMLTNESA-N
Synonyms
fmoc-l-lys(boc2-aoa)-oh Nalpha-Fmoc-Nepsilon-bis(Boc-aminooxy)acetamido-L-Lysine (S)-14-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-5-(tert-butoxycarbonyl)-2,2-dimethyl-4,8-dioxo-3,6-dioxa-5,9-diazapentadecan-15-oic acid MFCD18427299 (2S)-6-[[2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]oxyacetyl]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid

Computed Properties

Structural Parameters

Heavy atom count
46
Aromatic heavy atom count
12
Fraction Csp3
0.48
Rotatable bonds
12
H-bond acceptors
9
H-bond donors
3
Molar refractivity
166.75
TPSA
169.8

LogP / Solubility

WLOGP
5.37
MLOGP
4.78
XLogP3
5.2
Consensus LogP
5.12
Log S (ESOL)
-6.6
Class (ESOL)
Insoluble
Log S (Ali)
-8.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.73
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)
-2.82

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
4.5

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