![CAS 1349198-30-6 Carbamic acid, N-[[4-[(hydroxyimino)methyl]phenyl]methyl]-N-methyl-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1349198-30-6.gif)
CAS RN: 1349198-30-6
Carbamic acid, N-[[4-[(hydroxyimino)methyl]phenyl]methyl]-N-methyl-, 1,1-dimethylethyl 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.20250726 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1349198-30-6
- Purity/Analytical Methods: >99.0%
1349198-30-6 / tert-butyl N-[[4-[(E)-hydroxyiminomethyl]phenyl]methyl]-N-methylcarbamate
Basic Information
CAS
1349198-30-6
Multi CAS
No
Molecular Formula
C14H20N2O3
Molecular Weight
264.320000
Exact Mass
264.147393
SMILES
CC(C)(C)OC(=O)N(C)CC1=CC=C(C=C1)/C=N/O
InChI
InChI=1S/C14H20N2O3/c1-14(2,3)19-13(17)16(4)10-12-7-5-11(6-8-12)9-15-18/h5-9,18H,10H2,1-4H3/b15-9+
InChIKey
WKSRJEIRMWCSMS-OQLLNIDSSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
73.52
TPSA
62.13
LogP / Solubility
WLOGP
2.86
MLOGP
2.53
XLogP3
2.3
Consensus LogP
2.56
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.79
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.11
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)
-2.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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