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CAS 1260614-82-1 (R)-a-(Fmoc-amino)-3-methoxybenzeneacetic acid molecular structure lightbox
CAS RN: 1260614-82-1

(R)-a-(Fmoc-amino)-3-methoxybenzeneacetic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250104 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1260614-82-1
  • Purity/Analytical Methods: >99.0%
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1260614-82-1 / (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(3-methoxyphenyl)acetic acid

Standard CAS: 1260614-82-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1260614-82-1
Multi CAS
No
Molecular Formula
C24H21NO5
Molecular Weight
403.400000
Exact Mass
403.141973
SMILES
COC1=CC=CC(=C1)[C@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C24H21NO5/c1-29-16-8-6-7-15(13-16)22(23(26)27)25-24(28)30-14-21-19-11-4-2-9-17(19)18-10-3-5-12-20(18)21/h2-13,21-22H,14H2,1H3,(H,25,28)(H,26,27)/t22-/m1/s1
InChIKey
IFSIJILABHCANV-JOCHJYFZSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.17
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
111.58
TPSA
84.86

LogP / Solubility

WLOGP
4.36
MLOGP
3.86
XLogP3
4.3
Consensus LogP
4.17
Log S (ESOL)
-5.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.62
Class (SILICOS-IT)
Insoluble

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)
-2.09

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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