![CAS 2007925-03-1 prop-2-en-1-yl (1R,2S)-rel-2-{[(tert-butoxy)carbonyl]amino}cyclopropane-1-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2007925-03-1.png)
CAS RN: 2007925-03-1
prop-2-en-1-yl (1R,2S)-rel-2-{[(tert-butoxy)carbonyl]amino}cyclopropane-1-carboxylate
- Product code: SSC-094748
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 | Beijing | Inquiry |
2007925-03-1 / cis-prop-2-enyl (1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
Basic Information
CAS
2007925-03-1
Multi CAS
No
Molecular Formula
C12H19NO4
Molecular Weight
241.280000
Exact Mass
241.131408
SMILES
CC(C)(C)OC(=O)N[C@H]1C[C@H]1C(=O)OCC=C
InChI
InChI=1S/C12H19NO4/c1-5-6-16-10(14)8-7-9(8)13-11(15)17-12(2,3)4/h5,8-9H,1,6-7H2,2-4H3,(H,13,15)/t8-,9+/m1/s1
InChIKey
IQWBJVMOAYVPGM-BDAKNGLRSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
62.42
TPSA
64.63
LogP / Solubility
WLOGP
1.63
MLOGP
1.44
XLogP3
2.2
Consensus LogP
1.76
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.06
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)
-3.04
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
2.5
Customers Also Viewed
-
![CAS 2007925-04-2 tert-butyl 1-amino-5-azaspiro[2.3]hexane-5-carboxylate hydrochloride molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
tert-butyl 1-amino-5-azaspiro[2.3]hexane-5-carboxylate hydrochloride
- CAS RN: 2007925-04-2
- Product Code: SSC-094749
-
1-(3-fluoroquinolin-5-yl)ethanone
- CAS RN: 2007925-06-4
- Product Code: starshine_CAS2007925-06-4
- Purity/Analytical method: >99.0%
-
Cyclohexaneethanol, 4-amino-, hydrochloride (1:1), trans-
- CAS RN: 2007925-20-2
- Product Code: SSC-094752
-
1H-Indole, 3-ethynyl-5-nitro-
- CAS RN: 2007925-22-4
- Product Code: starshine_CAS2007925-22-4
- Purity/Analytical method: >99.0%
-
(S)-4-(2,4-Dimethoxybenzyl)-3-methylpiperazin-2-one hydrochloride
- CAS RN: 2007940-85-2
- Product Code: starshine_CAS2007940-85-2
- Purity/Analytical method: >99.0%
-
(S)-2-((S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-ylcarbamoyl)-4-methylpenty((R)-1-amino-3-phenylpropyl)phosphinic acid
- CAS RN: 2007955-07-7
- Product Code: starshine_CAS2007955-07-7
- Purity/Analytical method: >99.0%
![CAS 2007925-04-2 tert-butyl 1-amino-5-azaspiro[2.3]hexane-5-carboxylate hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2007925-04-2.png)
