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CAS 77275-43-5 (9H-Fluoren-9-yl)MethOxy]Carbonyl Met-Gly-OH molecular structure lightbox
CAS RN: 77275-43-5

(9H-Fluoren-9-yl)MethOxy]Carbonyl Met-Gly-OH

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260212 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: starshine_CAS77275-43-5
  • Purity/Analytical Methods: >99.0%
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77275-43-5 / 2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylsulfanylbutanoyl]amino]acetic acid

Standard CAS: 77275-43-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
77275-43-5
Multi CAS
Yes
Molecular Formula
C22H24N2O5S
Molecular Weight
428.500000
Exact Mass
428.140593
InChI
InChI=1S/C22H24N2O5S/c1-30-11-10-19(21(27)23-12-20(25)26)24-22(28)29-13-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,18-19H,10-13H2,1H3,(H,23,27)(H,24,28)(H,25,26)/t19-/m0/s1
InChIKey
VPZQIQAXTFVIOD-IBGZPJMESA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
3
Molar refractivity
115.64
TPSA
104.73

LogP / Solubility

WLOGP
2.85
MLOGP
2.53
XLogP3
3
Consensus LogP
2.79
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.89
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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