![CAS 1198355-02-0 tert-butyl N-[trans-4-acetylcyclohexyl]carbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1198355-02-0.gif)
CAS RN: 1198355-02-0
tert-butyl N-[trans-4-acetylcyclohexyl]carbamate
- Product code: SSC-020615
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1198355-02-0 / tert-butyl N-(4-acetylcyclohexyl)carbamate
tert-butyl N-(4-acetylcyclohexyl)carbamate | tert-butyl trans-N-(4-acetylcyclohexyl)carbamate | (4-acetylcyclohexyl)carbamic acid tert-butyl ester
Basic Information
CAS
1198355-02-0
Multi CAS
No
Molecular Formula
C13H23NO3
Molecular Weight
241.330000
Exact Mass
241.167794
SMILES
CC(=O)C1CCC(CC1)NC(=O)OC(C)(C)C
InChI
InChI=1S/C13H23NO3/c1-9(15)10-5-7-11(8-6-10)14-12(16)17-13(2,3)4/h10-11H,5-8H2,1-4H3,(H,14,16)
InChIKey
AYDMRXYIKDXUBB-UHFFFAOYSA-N
Synonyms
tert-butyl N-(4-acetylcyclohexyl)carbamate
tert-butyl trans-N-(4-acetylcyclohexyl)carbamate
(4-acetylcyclohexyl)carbamic acid tert-butyl ester
tert-Butyl (trans-4-acetylcyclohexyl)carbamate
MFCD30802109
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.85
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
65.8
TPSA
55.4
LogP / Solubility
WLOGP
2.66
MLOGP
2.34
XLogP3
1.9
Consensus LogP
2.3
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.68
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)
-2.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 1198357-79-7 3-[1-Methyl-4-(4-morpholinyl)-1H-pyrazolo[3,4-d]pyrimidin-6-ylphenol molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
3-[1-Methyl-4-(4-morpholinyl)-1H-pyrazolo[3,4-d]pyrimidin-6-ylphenol
- CAS RN: 1198357-79-7
- Product Code: starshine_CAS1198357-79-7
- Purity/Analytical method: >99.0%
-
9-bromine-11,11-dimethyl-11H-benzo[a]fluorene
- CAS RN: 1198396-29-0
- Product Code: SSC-020622
-
2-Bromo-11,11-dimethyl-11H-benzo[b]fluorene
- CAS RN: 1198396-39-2
- Product Code: SSC-020624
-
11,11-Dimethyl-11H-benzo[b]fluoren-2-yl)boronic acid
- CAS RN: 1198396-40-5
- Product Code: SSC-020625
-
tert-butyl 4-(6-aMinopyridin-3-yl)piperidine-1-carboxylate
- CAS RN: 1198408-35-3
- Product Code: SSC-020627
-
LDN-211904
- CAS RN: 1198408-78-4
- Product Code: starshine_CAS1198408-78-4
- Purity/Analytical method: >99.0%
![CAS 1198357-79-7 3-[1-Methyl-4-(4-morpholinyl)-1H-pyrazolo[3,4-d]pyrimidin-6-ylphenol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1198357-79-7.gif)
![CAS 1198396-29-0 9-bromine-11,11-dimethyl-11H-benzo[a]fluorene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1198396-29-0.gif)
![CAS 1198396-39-2 2-Bromo-11,11-dimethyl-11H-benzo[b]fluorene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1198396-39-2.gif)
![CAS 1198396-40-5 11,11-Dimethyl-11H-benzo[b]fluoren-2-yl)boronic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1198396-40-5.gif)
