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CAS 148515-87-1 FMOC-(FMOCHMB)LEU-OH molecular structure lightbox
CAS RN: 148515-87-1

FMOC-(FMOCHMB)LEU-OH

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250725 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS148515-87-1
  • Purity/Analytical Methods: >99.0%
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148515-87-1 / (2S)-2-[9H-fluoren-9-ylmethoxycarbonyl-[[2-(9H-fluoren-9-ylmethoxycarbonyloxy)-4-methoxyphenyl]methyl]amino]-4-methylpentanoic acid

Standard CAS: 148515-87-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
148515-87-1
Multi CAS
No
Molecular Formula
C44H41NO8
Molecular Weight
711.800000
Exact Mass
711.283217
SMILES
CC(C)C[C@@H](C(=O)O)N(CC1=C(C=C(C=C1)OC)OC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57
InChI
InChI=1S/C44H41NO8/c1-27(2)22-40(42(46)47)45(43(48)51-25-38-34-16-8-4-12-30(34)31-13-5-9-17-35(31)38)24-28-20-21-29(50-3)23-41(28)53-44(49)52-26-39-36-18-10-6-14-32(36)33-15-7-11-19-37(33)39/h4-21,23,27,38-40H,22,24-26H2,1-3H3,(H,46,47)/t40-/m0/s1
InChIKey
ZFZVDKKVQNKRCW-FAIXQHPJSA-N

Computed Properties

Structural Parameters

Heavy atom count
53
Aromatic heavy atom count
30
Fraction Csp3
0.25
Rotatable bonds
12
H-bond acceptors
7
H-bond donors
1
Molar refractivity
200.18
TPSA
111.6

LogP / Solubility

WLOGP
9.27
MLOGP
8.22
XLogP3
9.3
Consensus LogP
8.93
Log S (ESOL)
-9.72
Class (ESOL)
Insoluble
Log S (Ali)
-12.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.42
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)
-0.48

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
6.5

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