![CAS 129119-78-4 O-4-METHYLCOUMARINYL-N-[3-(TRIETHOXYSILYL)PROPYL]CARBAMATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/129119-78-4.gif)
CAS RN: 129119-78-4
O-4-METHYLCOUMARINYL-N-[3-(TRIETHOXYSILYL)PROPYL]CARBAMATE
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251025 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS129119-78-4
- Purity/Analytical Methods: >99.0%
129119-78-4 / (4-methyl-2-oxochromen-7-yl) N-(3-triethoxysilylpropyl)carbamate
Basic Information
CAS
129119-78-4
Multi CAS
No
Molecular Formula
C20H29NO7Si
Molecular Weight
423.500000
Exact Mass
423.171329
SMILES
CCO[Si](CCCNC(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)C)(OCC)OCC
InChI
InChI=1S/C20H29NO7Si/c1-5-24-29(25-6-2,26-7-3)12-8-11-21-20(23)27-16-9-10-17-15(4)13-19(22)28-18(17)14-16/h9-10,13-14H,5-8,11-12H2,1-4H3,(H,21,23)
InChIKey
RLWYADMMONCFSN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
10
Fraction Csp3
0.5
Rotatable bonds
11
H-bond acceptors
7
H-bond donors
1
Molar refractivity
111.3
TPSA
96.23
LogP / Solubility
WLOGP
3.63
MLOGP
3.22
XLogP3
3.63
Consensus LogP
3.49
Log S (ESOL)
-4.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.65
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.74
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)
-2.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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