CAS RN: 1774933-49-1
Carbamic acid, N-3-cyclopenten-1-yl-, phenyl ester
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.20251001 | 1g / 5g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1774933-49-1
- Purity/Analytical Methods: >99.0%
1774933-49-1 / phenyl N-cyclopent-3-en-1-ylcarbamate
Basic Information
CAS
1774933-49-1
Multi CAS
No
Molecular Formula
C12H13NO2
Molecular Weight
203.240000
Exact Mass
203.094629
SMILES
C1C=CCC1NC(=O)OC2=CC=CC=C2
InChI
InChI=1S/C12H13NO2/c14-12(13-10-6-4-5-7-10)15-11-8-2-1-3-9-11/h1-5,8-10H,6-7H2,(H,13,14)
InChIKey
OBQXXJOZFOQNAK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
57.76
TPSA
38.33
LogP / Solubility
WLOGP
2.49
MLOGP
2.19
XLogP3
2.7
Consensus LogP
2.46
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.29
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)
-2.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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