![CAS 203209-15-8 Cyclopropanecarboxylic acid, 2-[(4R)-1-[(4-Methoxyphenyl)Methyl]-2,5-dioxo-4-(9H-xanthen-9-ylMethyl)-4-iMidazolidinyl]-, (4-Methoxyphenyl)Methyl ester, (1S,2S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/203209-15-8.gif)
CAS RN: 203209-15-8
Cyclopropanecarboxylic acid, 2-[(4R)-1-[(4-Methoxyphenyl)Methyl]-2,5-dioxo-4-(9H-xanthen-9-ylMethyl)-4-iMidazolidinyl]-, (4-Methoxyphenyl)Methyl ester, (1S,2S)-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250310 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS203209-15-8
- Purity/Analytical Methods: >99.0%
203209-15-8 / trans-(4-methoxyphenyl)methyl (1S,2S)-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxo-4-(9H-xanthen-9-ylmethyl)imidazolidin-4-yl]cyclopropane-1-carboxylate
Basic Information
CAS
203209-15-8
Multi CAS
No
Molecular Formula
C37H34N2O7
Molecular Weight
618.700000
Exact Mass
618.236601
SMILES
COC1=CC=C(C=C1)CN2C(=O)[C@@](NC2=O)(CC3C4=CC=CC=C4OC5=CC=CC=C35)[C@H]6C[C@@H]6C(=O)OCC7=CC=C(C=C7)OC
InChI
InChI=1S/C37H34N2O7/c1-43-25-15-11-23(12-16-25)21-39-35(41)37(38-36(39)42,31-19-29(31)34(40)45-22-24-13-17-26(44-2)18-14-24)20-30-27-7-3-5-9-32(27)46-33-10-6-4-8-28(30)33/h3-18,29-31H,19-22H2,1-2H3,(H,38,42)/t29-,31-,37+/m0/s1
InChIKey
GYPKROUEYXTZBH-ODYUNIFUSA-N
Computed Properties
Structural Parameters
Heavy atom count
46
Aromatic heavy atom count
24
Fraction Csp3
0.27
Rotatable bonds
10
H-bond acceptors
7
H-bond donors
1
Molar refractivity
168.61
TPSA
103.4
LogP / Solubility
WLOGP
6.2
MLOGP
5.51
XLogP3
5.5
Consensus LogP
5.74
Log S (ESOL)
-7.31
Class (ESOL)
Insoluble
Log S (Ali)
-9.11
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.03
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.09
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5
