CAS RN: 25216-70-0
methyl N-(2-bromophenyl)carbamate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260510 | 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS25216-70-0
- Purity/Analytical Methods: >99.0%
25216-70-0 / methyl N-(2-bromophenyl)carbamate
Basic Information
CAS
25216-70-0
Multi CAS
No
Molecular Formula
C8H8BrNO2
Molecular Weight
230.060000
Exact Mass
228.973840
SMILES
COC(=O)NC1=CC=CC=C1Br
InChI
InChI=1S/C8H8BrNO2/c1-12-8(11)10-7-5-3-2-4-6(7)9/h2-5H,1H3,(H,10,11)
InChIKey
NQAASRWRCHYEBM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
50.17
TPSA
38.33
LogP / Solubility
WLOGP
2.63
MLOGP
2.32
XLogP3
2.2
Consensus LogP
2.38
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.46
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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