CAS RN: 2410250-48-3

FMOC-D-MET(O)-OH

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Batchno.20250520 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS2410250-48-3
  • Purity/Analytical Methods: >99.0%
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2410250-48-3 / (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylsulfinylbutanoic acid

Standard CAS: 2410250-48-3 Multi CAS: No

Basic Information

CAS
2410250-48-3
Multi CAS
No
Molecular Formula
C20H21NO5S
Molecular Weight
387.500000
Exact Mass
387.114044
SMILES
CS(=O)CC[C@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C20H21NO5S/c1-27(25)11-10-18(19(22)23)21-20(24)26-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17-18H,10-12H2,1H3,(H,21,24)(H,22,23)/t18-,27?/m1/s1
InChIKey
CEHRSUBRZOGRSW-XZATXCMXSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
103.18
TPSA
92.7

LogP / Solubility

WLOGP
2.75
MLOGP
2.44
XLogP3
2.1
Consensus LogP
2.43
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.3
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)
-3.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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