CAS RN: 883555-08-6
TERT-BUTYL 4-(METHOXYCARBONYL)-3-METHOXYPHENYLCARBAMATE
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250805 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS883555-08-6
- Purity/Analytical Methods: >99.0%
883555-08-6 / methyl 2-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
Basic Information
CAS
883555-08-6
Multi CAS
No
Molecular Formula
C14H19NO5
Molecular Weight
281.300000
Exact Mass
281.126323
InChI
InChI=1S/C14H19NO5/c1-14(2,3)20-13(17)15-9-6-7-10(12(16)19-5)11(8-9)18-4/h6-8H,1-5H3,(H,15,17)
InChIKey
VJJUWMAJRNOUSD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
74.19
TPSA
73.86
LogP / Solubility
WLOGP
2.83
MLOGP
2.5
XLogP3
2.3
Consensus LogP
2.54
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.91
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.2
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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