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CAS 207129-12-2 (R,S)-N-FMOC-N’-BOC-IMIDAZOLIDINE-2-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 207129-12-2

(R,S)-N-FMOC-N’-BOC-IMIDAZOLIDINE-2-CARBOXYLIC ACID

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Batchno.20260609 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS207129-12-2
  • Purity/Analytical Methods: >99.0%
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207129-12-2 / 1-(9H-fluoren-9-ylmethoxycarbonyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]imidazolidine-2-carboxylic acid

Standard CAS: 207129-12-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
207129-12-2
Multi CAS
No
Molecular Formula
C24H26N2O6
Molecular Weight
438.500000
Exact Mass
438.179087
SMILES
CC(C)(C)OC(=O)N1CCN(C1C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C24H26N2O6/c1-24(2,3)32-23(30)26-13-12-25(20(26)21(27)28)22(29)31-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-20H,12-14H2,1-3H3,(H,27,28)
InChIKey
IHRMIKPTDYFJCL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
116.14
TPSA
96.38

LogP / Solubility

WLOGP
3.9
MLOGP
3.46
XLogP3
3.6
Consensus LogP
3.65
Log S (ESOL)
-5.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.97
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.11
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)
-2.63

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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