CAS RN: 1393524-11-2
(R)-(1-Methyl-prop-2-ynyl)-carbamic acid benzyl 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.20251207 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1393524-11-2
- Purity/Analytical Methods: >99.0%
1393524-11-2 / benzyl N-[(2R)-but-3-yn-2-yl]carbamate
Basic Information
CAS
1393524-11-2
Multi CAS
No
Molecular Formula
C12H13NO2
Molecular Weight
203.240000
Exact Mass
203.094629
SMILES
C[C@H](C#C)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C12H13NO2/c1-3-10(2)13-12(14)15-9-11-7-5-4-6-8-11/h1,4-8,10H,9H2,2H3,(H,13,14)/t10-/m1/s1
InChIKey
PKTVPNRRPSWWMS-SNVBAGLBSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58.06
TPSA
38.33
LogP / Solubility
WLOGP
1.93
MLOGP
1.7
XLogP3
2
Consensus LogP
1.88
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
Class (SILICOS-IT)
Moderately 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)
-2.59
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
2
Customers Also Viewed
-
![CAS 1393524-16-7 (2R)-2-{[(tert-butoxy)carbonyl]amino}-3-(oxan-4-yl)propanoic acid molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
(2R)-2-{[(tert-butoxy)carbonyl]amino}-3-(oxan-4-yl)propanoic acid
- CAS RN: 1393524-16-7
- Product Code: SSC-049814
-
(3S,4S)-1-(tert-Butoxycarbonyl)-4-methylpyrrolidine-3-carboxylic acid
- CAS RN: 1393524-21-4
- Product Code: SSC-049815
-
ffBTZ-C8-2Br
- CAS RN: 1393528-97-6
- Product Code: starshine_CAS1393528-97-6
- Purity/Analytical method: >99.0%
-
4,7-bis(5-bromothiophen-2-yl)-5,6-difluoro-2-C6-2H-benzo[d][1,2,3]triazole
- CAS RN: 1393528-99-8
- Product Code: starshine_CAS1393528-99-8
- Purity/Analytical method: >99.0%
-
3-(3-Chlorophenyl)oxetane-3-carboxylic acid
- CAS RN: 1393531-96-8
- Product Code: SSC-049820
-
![CAS 1393524-16-7 (2R)-2-{[(tert-butoxy)carbonyl]amino}-3-(oxan-4-yl)propanoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1393524-16-7.gif)
![CAS 1393528-99-8 4,7-bis(5-bromothiophen-2-yl)-5,6-difluoro-2-C6-2H-benzo[d][1,2,3]triazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1393528-99-8.gif)
