CAS RN: 381241-08-3

FMOC-1,2-TRANS-ACHC-OH

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Batchno.20251226 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS381241-08-3
  • Purity/Analytical Methods: >99.0%
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381241-08-3 / trans-(1R,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylic acid

Standard CAS: 381241-08-3 Multi CAS: Yes

Basic Information

CAS
381241-08-3
Multi CAS
Yes
Molecular Formula
C22H23NO4
Molecular Weight
365.400000
Exact Mass
365.162708
InChI
InChI=1S/C22H23NO4/c24-21(25)18-11-5-6-12-20(18)23-22(26)27-13-19-16-9-3-1-7-14(16)15-8-2-4-10-17(15)19/h1-4,7-10,18-20H,5-6,11-13H2,(H,23,26)(H,24,25)/t18-,20-/m1/s1
InChIKey
NZMNDTGOODAUNI-UYAOXDASSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
101.59
TPSA
75.63

LogP / Solubility

WLOGP
4.17
MLOGP
3.69
XLogP3
4.6
Consensus LogP
4.15
Log S (ESOL)
-4.8
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.98
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.99

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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