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CAS 118609-38-4 FMOC-D-THR-OH molecular structure lightbox
CAS RN: 118609-38-4

FMOC-D-THR-OH

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250526 10g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS118609-38-4
  • Purity/Analytical Methods: >99.0%
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118609-38-4 / (2R,3S)-2-[1-(9H-fluoren-9-yl)ethoxycarbonylamino]-3-hydroxybutanoic acid

Standard CAS: 118609-38-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
118609-38-4
Multi CAS
Yes
Molecular Formula
C20H21NO5
Molecular Weight
355.400000
Exact Mass
355.141973
SMILES
C[C@@H]([C@H](C(=O)O)NC(=O)OC(C)C1C2=CC=CC=C2C3=CC=CC=C13)O
InChI
InChI=1S/C20H21NO5/c1-11(22)18(19(23)24)21-20(25)26-12(2)17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-12,17-18,22H,1-2H3,(H,21,25)(H,23,24)/t11-,12?,18+/m0/s1
InChIKey
WTJDYFSSQGHDKW-APGDPANTSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
3
Molar refractivity
95.9
TPSA
95.86

LogP / Solubility

WLOGP
2.75
MLOGP
2.44
XLogP3
2.9
Consensus LogP
2.7
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.85
Class (SILICOS-IT)
Slightly soluble

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)
-2.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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