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CAS 144317-22-6 FMOC-ASN(MTT)-OH molecular structure lightbox
CAS RN: 144317-22-6

FMOC-ASN(MTT)-OH

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260123 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS144317-22-6
  • Purity/Analytical Methods: >99.0%
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144317-22-6 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[[(4-methylphenyl)-diphenylmethyl]amino]-4-oxobutanoic acid

Standard CAS: 144317-22-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
144317-22-6
Multi CAS
No
Molecular Formula
C39H34N2O5
Molecular Weight
610.700000
Exact Mass
610.246772
SMILES
CC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(=O)C[C@@H](C(=O)O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
InChI
InChI=1S/C39H34N2O5/c1-26-20-22-29(23-21-26)39(27-12-4-2-5-13-27,28-14-6-3-7-15-28)41-36(42)24-35(37(43)44)40-38(45)46-25-34-32-18-10-8-16-30(32)31-17-9-11-19-33(31)34/h2-23,34-35H,24-25H2,1H3,(H,40,45)(H,41,42)(H,43,44)/t35-/m0/s1
InChIKey
IIZBWIYTHRCCFO-DHUJRADRSA-N

Computed Properties

Structural Parameters

Heavy atom count
46
Aromatic heavy atom count
30
Fraction Csp3
0.15
Rotatable bonds
10
H-bond acceptors
4
H-bond donors
3
Molar refractivity
176.33
TPSA
104.73

LogP / Solubility

WLOGP
6.79
MLOGP
6.02
XLogP3
7
Consensus LogP
6.6
Log S (ESOL)
-7.72
Class (ESOL)
Insoluble
Log S (Ali)
-9.47
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.46
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)
-1.63

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

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