![CAS 365998-36-3 Carbamic acid,[(1R,2S,5S)-2-amino-5-[(dimethylamino)carbonyl]cyclohexyl]-,1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/365998-36-3.png)
CAS RN: 365998-36-3
Carbamic acid,[(1R,2S,5S)-2-amino-5-[(dimethylamino)carbonyl]cyclohexyl]-,1,1-dimethylethyl ester
- Product code: SSC-143804
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: 10g
- 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 |
|---|---|---|---|---|
| 10g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
365998-36-3 / tert-butyl N-[(1R,2S,5S)-2-amino-5-(dimethylcarbamoyl)cyclohexyl]carbamate
Basic Information
CAS
365998-36-3
Multi CAS
Yes
Molecular Formula
C14H27N3O3
Molecular Weight
285.380000
Exact Mass
285.205242
InChI
InChI=1S/C14H27N3O3/c1-14(2,3)20-13(19)16-11-8-9(6-7-10(11)15)12(18)17(4)5/h9-11H,6-8,15H2,1-5H3,(H,16,19)/t9-,10-,11+/m0/s1
InChIKey
JCHIBKSSZNWERE-GARJFASQSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
77.17
TPSA
84.66
LogP / Solubility
WLOGP
1.1
MLOGP
0.97
XLogP3
0.4
Consensus LogP
0.82
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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