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CAS 210345-04-3 Z-LEHD-FMK molecular structure lightbox
CAS RN: 210345-04-3

Z-LEHD-FMK

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251023 1mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS210345-04-3
  • Purity/Analytical Methods: >99.0%
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210345-04-3 / methyl (4S)-5-[[(2S)-1-[[(3S)-5-fluoro-1-methoxy-1,4-dioxopentan-3-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxopentanoate

Standard CAS: 210345-04-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
210345-04-3
Multi CAS
No
Molecular Formula
C32H43FN6O10
Molecular Weight
690.700000
Exact Mass
690.302470
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CCC(=O)OC)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(=O)OC)C(=O)CF)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C32H43FN6O10/c1-19(2)12-24(39-32(46)49-17-20-8-6-5-7-9-20)30(44)36-22(10-11-27(41)47-3)29(43)38-25(13-21-16-34-18-35-21)31(45)37-23(26(40)15-33)14-28(42)48-4/h5-9,16,18-19,22-25H,10-15,17H2,1-4H3,(H,34,35)(H,36,44)(H,37,45)(H,38,43)(H,39,46)/t22-,23-,24-,25-/m0/s1
InChIKey
YXRKBEPGVHOXSV-QORCZRPOSA-N

Computed Properties

Structural Parameters

Heavy atom count
49
Aromatic heavy atom count
11
Fraction Csp3
0.5
Rotatable bonds
20
H-bond acceptors
11
H-bond donors
5
Molar refractivity
169.95
TPSA
223.98

LogP / Solubility

WLOGP
0.8
MLOGP
0.77
XLogP3
1.6
Consensus LogP
1.06
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.8
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.22
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.36

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

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